2-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)aniline

C16H26N2 — CID 78934792

IUPAC2-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)aniline
SMILESCC1CCC(N(C)c2ccccc2[C@H](C)N)CC1
InChIInChI=1S/C16H26N2/c1-12-8-10-14(11-9-12)18(3)16-7-5-4-6-15(16)13(2)17/h4-7,12-14H,8-11,17H2,1-3H3/t12?,13-,14?/m0/s1
InChIKeyHIEYJLZWKPNDPX-MOKVOYLWSA-N
MW246.40 g/mol
LogP3.72
Rot. Bonds3

About 2-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)aniline

2-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)aniline (PubChem CID 78934792) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)aniline.

Molecular Properties

Compound Name2-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)aniline
PubChem CID78934792
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)aniline
SMILESCC1CCC(N(C)c2ccccc2[C@H](C)N)CC1
InChIInChI=1S/C16H26N2/c1-12-8-10-14(11-9-12)18(3)16-7-5-4-6-15(16)13(2)17/h4-7,12-14H,8-11,17H2,1-3H3/t12?,13-,14?/m0/s1
InChIKeyHIEYJLZWKPNDPX-MOKVOYLWSA-N
XLogP3.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)aniline?
The IUPAC name of 2-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)aniline (CID 78934792) is 2-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)aniline.
What is the SMILES notation for 2-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)aniline?
The canonical SMILES for 2-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)aniline is CC1CCC(N(C)c2ccccc2[C@H](C)N)CC1.
What is the InChIKey of 2-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)aniline?
The InChIKey is HIEYJLZWKPNDPX-MOKVOYLWSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-8-10-14(11-9-12)18(3)16-7-5-4-6-15(16)13(2)17/h4-7,12-14H,8-11,17H2,1-3H3/t12?,13-,14?/m0/s1.
What are the key properties of 2-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)aniline?
2-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)aniline has a molecular weight of 246.40 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)aniline is sourced from PubChem (CID 78934792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).