2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine

C16H26N2O — CID 102639912

IUPAC2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine
SMILESCOc1ccc(CCN(C)C2CCCCC2N)cc1
InChIInChI=1S/C16H26N2O/c1-18(16-6-4-3-5-15(16)17)12-11-13-7-9-14(19-2)10-8-13/h7-10,15-16H,3-6,11-12,17H2,1-2H3
InChIKeyUCLDCZWLXHBDKO-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.44
Rot. Bonds5

About 2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine

2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine (PubChem CID 102639912) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine
PubChem CID102639912
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine
SMILESCOc1ccc(CCN(C)C2CCCCC2N)cc1
InChIInChI=1S/C16H26N2O/c1-18(16-6-4-3-5-15(16)17)12-11-13-7-9-14(19-2)10-8-13/h7-10,15-16H,3-6,11-12,17H2,1-2H3
InChIKeyUCLDCZWLXHBDKO-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[2-(4-ethylphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine
CID 115118118
1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopentane-1,2-diamine
CID 60912856
1-N-[2-(3,4-dimethylphenyl)ethyl]-1-N-methylcyclopentane-1,2-diamine
CID 115117654
2-N-[(3-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine
CID 61420564
cyclohexanol;ethane;2-(4-methoxyphenyl)-N,N-dimethylethanamine
CID 143482708
2-[cyclopentyl-[2-(4-methoxyphenyl)ethyl]amino]ethanethioamide
CID 65446178
2-N-(2-methoxyethyl)-2-N-methylcyclooctane-1,2-diamine
CID 61427471
N-[2-(4-methoxyphenyl)ethyl]-N-methylazetidin-3-amine
CID 66187359
N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913713
N-[2-(4-methoxyphenyl)ethyl]-N-methylcyclohexanecarboxamide
CID 110287930
N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-3-amine
CID 63642664
1-N-methyl-1-N-(4-propylphenyl)cyclopentane-1,2-diamine
CID 115117233

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine (CID 102639912) is 2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine is COc1ccc(CCN(C)C2CCCCC2N)cc1.
What is the InChIKey of 2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine?
The InChIKey is UCLDCZWLXHBDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-18(16-6-4-3-5-15(16)17)12-11-13-7-9-14(19-2)10-8-13/h7-10,15-16H,3-6,11-12,17H2,1-2H3.
What are the key properties of 2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine?
2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine is sourced from PubChem (CID 102639912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).