1-[1-[2-bromo-5-(3-methoxypropoxy)-4-phenylmethoxyphenyl]propyl]-1-tert-butylhydrazine

C24H35BrN2O3 — CID 142409271

IUPAC1-[1-[2-bromo-5-(3-methoxypropoxy)-4-phenylmethoxyphenyl]propyl]-1-tert-butylhydrazine
SMILESCCC(c1cc(OCCCOC)c(OCc2ccccc2)cc1Br)N(N)C(C)(C)C
InChIInChI=1S/C24H35BrN2O3/c1-6-21(27(26)24(2,3)4)19-15-22(29-14-10-13-28-5)23(16-20(19)25)30-17-18-11-8-7-9-12-18/h7-9,11-12,15-16,21H,6,10,13-14,17,26H2,1-5H3
InChIKeyLKUIFPRCNFCLNK-UHFFFAOYSA-N
MW479.46 g/mol
LogP5.87
Rot. Bonds11

About 1-[1-[2-bromo-5-(3-methoxypropoxy)-4-phenylmethoxyphenyl]propyl]-1-tert-butylhydrazine

1-[1-[2-bromo-5-(3-methoxypropoxy)-4-phenylmethoxyphenyl]propyl]-1-tert-butylhydrazine (PubChem CID 142409271) has the molecular formula C24H35BrN2O3 and a molecular weight of 479.46 g/mol. Its IUPAC name is 1-[1-[2-bromo-5-(3-methoxypropoxy)-4-phenylmethoxyphenyl]propyl]-1-tert-butylhydrazine.

Molecular Properties

Compound Name1-[1-[2-bromo-5-(3-methoxypropoxy)-4-phenylmethoxyphenyl]propyl]-1-tert-butylhydrazine
PubChem CID142409271
Molecular FormulaC24H35BrN2O3
Molecular Weight479.46 g/mol
Exact Mass478.18
IUPAC Name1-[1-[2-bromo-5-(3-methoxypropoxy)-4-phenylmethoxyphenyl]propyl]-1-tert-butylhydrazine
SMILESCCC(c1cc(OCCCOC)c(OCc2ccccc2)cc1Br)N(N)C(C)(C)C
InChIInChI=1S/C24H35BrN2O3/c1-6-21(27(26)24(2,3)4)19-15-22(29-14-10-13-28-5)23(16-20(19)25)30-17-18-11-8-7-9-12-18/h7-9,11-12,15-16,21H,6,10,13-14,17,26H2,1-5H3
InChIKeyLKUIFPRCNFCLNK-UHFFFAOYSA-N
XLogP5.87
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.46
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-(3-methoxypropoxy)-2-methyl-5-phenylmethoxybenzene
CID 135296706
1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene
CID 135397184
1-(3-methoxypropoxy)-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
CID 90350663
1-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)pentan-3-amine
CID 126483906
5-[2-bromo-5-(3-methoxypropoxy)-4-phenylmethoxyphenyl]-2,2-dimethyl-1-nitrosopyrrolidine
CID 135297112
(R)-diethoxyphosphoryl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine
CID 171192302
(S)-diethoxyphosphoryl-(4,5-dimethoxy-2-phenylmethoxyphenyl)methanamine
CID 171191970
5-methoxy-4-(3-methoxypropoxy)-2-phenylmethoxybenzoyl chloride
CID 146330375
(5-bromo-4-methoxy-2-phenylmethoxyphenoxy)-tert-butyl-dimethylsilane
CID 59089862
N-[1-(2-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-[tert-butyl(dimethyl)silyl]oxybutyl]benzo[f][1,3]benzodioxol-5-amine
CID 68976744
2-bromo-4-tert-butyl-1-phenylmethoxybenzene
CID 15152030
N-[[3-(3-methoxypropoxy)-4-phenylmethoxyphenyl]methyl]cyclopropanamine
CID 59494923

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-bromo-5-(3-methoxypropoxy)-4-phenylmethoxyphenyl]propyl]-1-tert-butylhydrazine?
The IUPAC name of 1-[1-[2-bromo-5-(3-methoxypropoxy)-4-phenylmethoxyphenyl]propyl]-1-tert-butylhydrazine (CID 142409271) is 1-[1-[2-bromo-5-(3-methoxypropoxy)-4-phenylmethoxyphenyl]propyl]-1-tert-butylhydrazine.
What is the SMILES notation for 1-[1-[2-bromo-5-(3-methoxypropoxy)-4-phenylmethoxyphenyl]propyl]-1-tert-butylhydrazine?
The canonical SMILES for 1-[1-[2-bromo-5-(3-methoxypropoxy)-4-phenylmethoxyphenyl]propyl]-1-tert-butylhydrazine is CCC(c1cc(OCCCOC)c(OCc2ccccc2)cc1Br)N(N)C(C)(C)C.
What is the InChIKey of 1-[1-[2-bromo-5-(3-methoxypropoxy)-4-phenylmethoxyphenyl]propyl]-1-tert-butylhydrazine?
The InChIKey is LKUIFPRCNFCLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35BrN2O3/c1-6-21(27(26)24(2,3)4)19-15-22(29-14-10-13-28-5)23(16-20(19)25)30-17-18-11-8-7-9-12-18/h7-9,11-12,15-16,21H,6,10,13-14,17,26H2,1-5H3.
What are the key properties of 1-[1-[2-bromo-5-(3-methoxypropoxy)-4-phenylmethoxyphenyl]propyl]-1-tert-butylhydrazine?
1-[1-[2-bromo-5-(3-methoxypropoxy)-4-phenylmethoxyphenyl]propyl]-1-tert-butylhydrazine has a molecular weight of 479.46 g/mol, XLogP of 5.87, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-bromo-5-(3-methoxypropoxy)-4-phenylmethoxyphenyl]propyl]-1-tert-butylhydrazine is sourced from PubChem (CID 142409271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).