1-[2-[4-bromo-2-(3-methoxy-2-methylphenoxy)-5-methylphenyl]ethyl]-2-[2-[4-chloro-2-(3-methoxy-2-methylphenoxy)phenyl]ethyl]hydrazine

C33H36BrClN2O4 — CID 91366090

IUPAC1-[2-[4-bromo-2-(3-methoxy-2-methylphenoxy)-5-methylphenyl]ethyl]-2-[2-[4-chloro-2-(3-methoxy-2-methylphenoxy)phenyl]ethyl]hydrazine
SMILESCOc1cccc(Oc2cc(Cl)ccc2CCNNCCc2cc(C)c(Br)cc2Oc2cccc(OC)c2C)c1C
InChIInChI=1S/C33H36BrClN2O4/c1-21-18-25(33(20-27(21)34)41-31-11-7-9-29(39-5)23(31)3)15-17-37-36-16-14-24-12-13-26(35)19-32(24)40-30-10-6-8-28(38-4)22(30)2/h6-13,18-20,36-37H,14-17H2,1-5H3
InChIKeyMNNSUZWTOSFBKE-UHFFFAOYSA-N
MW640.02 g/mol
LogP8.51
Rot. Bonds13

About 1-[2-[4-bromo-2-(3-methoxy-2-methylphenoxy)-5-methylphenyl]ethyl]-2-[2-[4-chloro-2-(3-methoxy-2-methylphenoxy)phenyl]ethyl]hydrazine

1-[2-[4-bromo-2-(3-methoxy-2-methylphenoxy)-5-methylphenyl]ethyl]-2-[2-[4-chloro-2-(3-methoxy-2-methylphenoxy)phenyl]ethyl]hydrazine (PubChem CID 91366090) has the molecular formula C33H36BrClN2O4 and a molecular weight of 640.02 g/mol. Its IUPAC name is 1-[2-[4-bromo-2-(3-methoxy-2-methylphenoxy)-5-methylphenyl]ethyl]-2-[2-[4-chloro-2-(3-methoxy-2-methylphenoxy)phenyl]ethyl]hydrazine.

Molecular Properties

Compound Name1-[2-[4-bromo-2-(3-methoxy-2-methylphenoxy)-5-methylphenyl]ethyl]-2-[2-[4-chloro-2-(3-methoxy-2-methylphenoxy)phenyl]ethyl]hydrazine
PubChem CID91366090
Molecular FormulaC33H36BrClN2O4
Molecular Weight640.02 g/mol
Exact Mass638.15
IUPAC Name1-[2-[4-bromo-2-(3-methoxy-2-methylphenoxy)-5-methylphenyl]ethyl]-2-[2-[4-chloro-2-(3-methoxy-2-methylphenoxy)phenyl]ethyl]hydrazine
SMILESCOc1cccc(Oc2cc(Cl)ccc2CCNNCCc2cc(C)c(Br)cc2Oc2cccc(OC)c2C)c1C
InChIInChI=1S/C33H36BrClN2O4/c1-21-18-25(33(20-27(21)34)41-31-11-7-9-29(39-5)23(31)3)15-17-37-36-16-14-24-12-13-26(35)19-32(24)40-30-10-6-8-28(38-4)22(30)2/h6-13,18-20,36-37H,14-17H2,1-5H3
InChIKeyMNNSUZWTOSFBKE-UHFFFAOYSA-N
XLogP8.51
TPSA60.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.02
LogP ≤ 58.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-chloro-2-(3-methoxy-2-methylphenoxy)-5-methylphenyl]ethanamine
CID 69464185
1-(bromomethyl)-4-chloro-2-(2,3-dimethylphenoxy)benzene
CID 107086769
1-[5-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene
CID 114846944
1-[4-chloro-5-fluoro-2-(3-methoxy-2-methylphenoxy)phenyl]-N-methylmethanamine;hydrochloride
CID 11609901
2-[2-(2-bromo-4-chlorophenoxy)-4-chlorophenyl]ethanamine
CID 114863000
N-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 66535631
1-[2-(bromomethyl)-4-chlorophenoxy]-2,3-dimethylbenzene
CID 107086782
1-[4-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene
CID 114846945
1-bromo-4-[2-(bromomethyl)-5-chlorophenoxy]-2-methylbenzene
CID 107089078
4-chloro-2-methoxy-1-methylbenzene;ethane
CID 143462337
2-N-(4-chloro-2-methylphenyl)-4-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920984
4-(5-chloro-2-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 27539448

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-bromo-2-(3-methoxy-2-methylphenoxy)-5-methylphenyl]ethyl]-2-[2-[4-chloro-2-(3-methoxy-2-methylphenoxy)phenyl]ethyl]hydrazine?
The IUPAC name of 1-[2-[4-bromo-2-(3-methoxy-2-methylphenoxy)-5-methylphenyl]ethyl]-2-[2-[4-chloro-2-(3-methoxy-2-methylphenoxy)phenyl]ethyl]hydrazine (CID 91366090) is 1-[2-[4-bromo-2-(3-methoxy-2-methylphenoxy)-5-methylphenyl]ethyl]-2-[2-[4-chloro-2-(3-methoxy-2-methylphenoxy)phenyl]ethyl]hydrazine.
What is the SMILES notation for 1-[2-[4-bromo-2-(3-methoxy-2-methylphenoxy)-5-methylphenyl]ethyl]-2-[2-[4-chloro-2-(3-methoxy-2-methylphenoxy)phenyl]ethyl]hydrazine?
The canonical SMILES for 1-[2-[4-bromo-2-(3-methoxy-2-methylphenoxy)-5-methylphenyl]ethyl]-2-[2-[4-chloro-2-(3-methoxy-2-methylphenoxy)phenyl]ethyl]hydrazine is COc1cccc(Oc2cc(Cl)ccc2CCNNCCc2cc(C)c(Br)cc2Oc2cccc(OC)c2C)c1C.
What is the InChIKey of 1-[2-[4-bromo-2-(3-methoxy-2-methylphenoxy)-5-methylphenyl]ethyl]-2-[2-[4-chloro-2-(3-methoxy-2-methylphenoxy)phenyl]ethyl]hydrazine?
The InChIKey is MNNSUZWTOSFBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36BrClN2O4/c1-21-18-25(33(20-27(21)34)41-31-11-7-9-29(39-5)23(31)3)15-17-37-36-16-14-24-12-13-26(35)19-32(24)40-30-10-6-8-28(38-4)22(30)2/h6-13,18-20,36-37H,14-17H2,1-5H3.
What are the key properties of 1-[2-[4-bromo-2-(3-methoxy-2-methylphenoxy)-5-methylphenyl]ethyl]-2-[2-[4-chloro-2-(3-methoxy-2-methylphenoxy)phenyl]ethyl]hydrazine?
1-[2-[4-bromo-2-(3-methoxy-2-methylphenoxy)-5-methylphenyl]ethyl]-2-[2-[4-chloro-2-(3-methoxy-2-methylphenoxy)phenyl]ethyl]hydrazine has a molecular weight of 640.02 g/mol, XLogP of 8.51, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-bromo-2-(3-methoxy-2-methylphenoxy)-5-methylphenyl]ethyl]-2-[2-[4-chloro-2-(3-methoxy-2-methylphenoxy)phenyl]ethyl]hydrazine is sourced from PubChem (CID 91366090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).