2-(aminomethyl)-N-cyclohexyl-3-phenylaniline

C19H24N2 — CID 23509646

IUPAC2-(aminomethyl)-N-cyclohexyl-3-phenylaniline
SMILESNCc1c(NC2CCCCC2)cccc1-c1ccccc1
InChIInChI=1S/C19H24N2/c20-14-18-17(15-8-3-1-4-9-15)12-7-13-19(18)21-16-10-5-2-6-11-16/h1,3-4,7-9,12-13,16,21H,2,5-6,10-11,14,20H2
InChIKeyXTSLFTMTMLQNLU-UHFFFAOYSA-N
MW280.42 g/mol
LogP4.56
Rot. Bonds4

About 2-(aminomethyl)-N-cyclohexyl-3-phenylaniline

2-(aminomethyl)-N-cyclohexyl-3-phenylaniline (PubChem CID 23509646) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-cyclohexyl-3-phenylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-N-cyclohexyl-3-phenylaniline
PubChem CID23509646
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name2-(aminomethyl)-N-cyclohexyl-3-phenylaniline
SMILESNCc1c(NC2CCCCC2)cccc1-c1ccccc1
InChIInChI=1S/C19H24N2/c20-14-18-17(15-8-3-1-4-9-15)12-7-13-19(18)21-16-10-5-2-6-11-16/h1,3-4,7-9,12-13,16,21H,2,5-6,10-11,14,20H2
InChIKeyXTSLFTMTMLQNLU-UHFFFAOYSA-N
XLogP4.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-cyclohexyl-3-phenylaniline?
The IUPAC name of 2-(aminomethyl)-N-cyclohexyl-3-phenylaniline (CID 23509646) is 2-(aminomethyl)-N-cyclohexyl-3-phenylaniline.
What is the SMILES notation for 2-(aminomethyl)-N-cyclohexyl-3-phenylaniline?
The canonical SMILES for 2-(aminomethyl)-N-cyclohexyl-3-phenylaniline is NCc1c(NC2CCCCC2)cccc1-c1ccccc1.
What is the InChIKey of 2-(aminomethyl)-N-cyclohexyl-3-phenylaniline?
The InChIKey is XTSLFTMTMLQNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c20-14-18-17(15-8-3-1-4-9-15)12-7-13-19(18)21-16-10-5-2-6-11-16/h1,3-4,7-9,12-13,16,21H,2,5-6,10-11,14,20H2.
What are the key properties of 2-(aminomethyl)-N-cyclohexyl-3-phenylaniline?
2-(aminomethyl)-N-cyclohexyl-3-phenylaniline has a molecular weight of 280.42 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-cyclohexyl-3-phenylaniline is sourced from PubChem (CID 23509646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).