2-N-cyclohexyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine

C18H30N2O — CID 60709719

IUPAC2-N-cyclohexyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCOc1ccc(CC(C)(CN)N(C)C2CCCCC2)cc1
InChIInChI=1S/C18H30N2O/c1-18(14-19,20(2)16-7-5-4-6-8-16)13-15-9-11-17(21-3)12-10-15/h9-12,16H,4-8,13-14,19H2,1-3H3
InChIKeyHCOIOQIDUNYIQX-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.22
Rot. Bonds6

About 2-N-cyclohexyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine

2-N-cyclohexyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 60709719) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-N-cyclohexyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
PubChem CID60709719
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-N-cyclohexyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCOc1ccc(CC(C)(CN)N(C)C2CCCCC2)cc1
InChIInChI=1S/C18H30N2O/c1-18(14-19,20(2)16-7-5-4-6-8-16)13-15-9-11-17(21-3)12-10-15/h9-12,16H,4-8,13-14,19H2,1-3H3
InChIKeyHCOIOQIDUNYIQX-UHFFFAOYSA-N
XLogP3.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-cyclohexyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-cyclopentyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 63272919
3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-phenylpropane-1,2-diamine
CID 60709902
3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylpropyl)propane-1,2-diamine
CID 55169280
3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine
CID 112658105
2-N-ethyl-4-(4-methoxyphenyl)-2-N,2-dimethylbutane-1,2-diamine
CID 54878009
2-(azocan-1-yl)-3-(4-methoxyphenyl)-2-methylpropan-1-amine
CID 63272832
3-(4-methoxyphenyl)-2-methyl-2-(2-methylpiperidin-1-yl)propan-1-amine
CID 60709995
[2-[2-(4-methoxyphenyl)ethyl]cycloheptyl]methanamine
CID 81010620
N-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexanamine
CID 112818440
N-cyclohexyl-N-[(4-methoxyphenyl)methyl]azetidin-3-amine
CID 142720743
1-(4-methoxyphenyl)-2-N',2-N'-dimethylpropane-2,2-diamine
CID 84748167
2-N-[2-(dimethylamino)ethyl]-3-(4-methoxyphenyl)-2-methylpropane-1,2-diamine
CID 65385865

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-cyclohexyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine (CID 60709719) is 2-N-cyclohexyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-cyclohexyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-cyclohexyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine is COc1ccc(CC(C)(CN)N(C)C2CCCCC2)cc1.
What is the InChIKey of 2-N-cyclohexyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is HCOIOQIDUNYIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-18(14-19,20(2)16-7-5-4-6-8-16)13-15-9-11-17(21-3)12-10-15/h9-12,16H,4-8,13-14,19H2,1-3H3.
What are the key properties of 2-N-cyclohexyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine?
2-N-cyclohexyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine has a molecular weight of 290.45 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 60709719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).