N'-(3-chloro-4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine

C18H23ClN2O2 — CID 54808245

IUPACN'-(3-chloro-4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(NCCNc2ccc(OC(C)C)cc2)cc1Cl
InChIInChI=1S/C18H23ClN2O2/c1-13(2)23-16-7-4-14(5-8-16)20-10-11-21-15-6-9-18(22-3)17(19)12-15/h4-9,12-13,20-21H,10-11H2,1-3H3
InChIKeyMMDMMTSJBLBGAE-UHFFFAOYSA-N
MW334.85 g/mol
LogP4.66
Rot. Bonds8

About N'-(3-chloro-4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine

N'-(3-chloro-4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine (PubChem CID 54808245) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is N'-(3-chloro-4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-chloro-4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
PubChem CID54808245
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC NameN'-(3-chloro-4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(NCCNc2ccc(OC(C)C)cc2)cc1Cl
InChIInChI=1S/C18H23ClN2O2/c1-13(2)23-16-7-4-14(5-8-16)20-10-11-21-15-6-9-18(22-3)17(19)12-15/h4-9,12-13,20-21H,10-11H2,1-3H3
InChIKeyMMDMMTSJBLBGAE-UHFFFAOYSA-N
XLogP4.66
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(3-chloro-4-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806573
1-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)urea
CID 108991931
3-chloro-4-methoxy-N-(2-phenoxypropyl)aniline
CID 54798696
N'-(3-chloro-4-methoxyphenyl)-N-ethylethane-1,2-diamine
CID 54808092
4-chloro-3-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]aniline
CID 107621263
4-N-(3-chloro-4-methoxyphenyl)-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112866008
3-chloro-4-methoxy-N-(2,3,3-trimethylbutyl)aniline
CID 114270442
3-chloro-N-heptyl-4-methoxyaniline
CID 43129175
N-(3-chloro-4-methoxyphenyl)-N'-(5-chloro-2-methylphenyl)ethane-1,2-diamine
CID 54808244
3-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]-4-methoxyaniline
CID 54798694
3-chloro-4-methoxy-N-(3-methylbut-3-enyl)aniline
CID 114471881
1-N-(3-chloro-4-methoxyphenyl)-3-methylbutane-1,2-diamine
CID 83960372

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(3-chloro-4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine (CID 54808245) is N'-(3-chloro-4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-chloro-4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-chloro-4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine is COc1ccc(NCCNc2ccc(OC(C)C)cc2)cc1Cl.
What is the InChIKey of N'-(3-chloro-4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
The InChIKey is MMDMMTSJBLBGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2/c1-13(2)23-16-7-4-14(5-8-16)20-10-11-21-15-6-9-18(22-3)17(19)12-15/h4-9,12-13,20-21H,10-11H2,1-3H3.
What are the key properties of N'-(3-chloro-4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
N'-(3-chloro-4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine has a molecular weight of 334.85 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54808245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).