1-cyclohexyl-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine

C16H26N2O — CID 104745754

IUPAC1-cyclohexyl-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine
SMILESCOc1ccc(N(C)CC(N)C2CCCCC2)cc1
InChIInChI=1S/C16H26N2O/c1-18(14-8-10-15(19-2)11-9-14)12-16(17)13-6-4-3-5-7-13/h8-11,13,16H,3-7,12,17H2,1-2H3
InChIKeyVHONSZPKLDLCTF-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.04
Rot. Bonds5

About 1-cyclohexyl-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine

1-cyclohexyl-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine (PubChem CID 104745754) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-cyclohexyl-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine
PubChem CID104745754
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-cyclohexyl-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine
SMILESCOc1ccc(N(C)CC(N)C2CCCCC2)cc1
InChIInChI=1S/C16H26N2O/c1-18(14-8-10-15(19-2)11-9-14)12-16(17)13-6-4-3-5-7-13/h8-11,13,16H,3-7,12,17H2,1-2H3
InChIKeyVHONSZPKLDLCTF-UHFFFAOYSA-N
XLogP3.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine
CID 113448192
N-[cyclohexyl(deuterio)methyl]-4-methoxy-N-methylaniline
CID 177482004
1-cyclopentyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
CID 113448204
N-(2,2-dimethoxyethyl)-4-methoxy-N-methylaniline
CID 66224043
1-cyclobutyl-3-(4-methoxyphenyl)propan-1-amine
CID 65446100
N'-(4-methoxyphenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745755
1-cyclohexyl-N'-(3-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine
CID 104745745
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxyphenyl)ethanol;hydrochloride
CID 171160552
1-cyclohexyl-2-(4-methoxyphenyl)-N-methylethanamine
CID 54980091
N'-cyclohexyl-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
CID 16790532
1-cyclopropyl-3-(4-methoxyphenoxy)propan-1-amine
CID 112501445
1-methoxy-3-(4-methoxy-N-methylanilino)propan-2-ol
CID 3725441

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine (CID 104745754) is 1-cyclohexyl-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine is COc1ccc(N(C)CC(N)C2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine?
The InChIKey is VHONSZPKLDLCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-18(14-8-10-15(19-2)11-9-14)12-16(17)13-6-4-3-5-7-13/h8-11,13,16H,3-7,12,17H2,1-2H3.
What are the key properties of 1-cyclohexyl-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine?
1-cyclohexyl-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 104745754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).