2-(aminomethyl)-3-chloro-N-cyclohexyl-N-ethylaniline

C15H23ClN2 — CID 28965176

IUPAC2-(aminomethyl)-3-chloro-N-cyclohexyl-N-ethylaniline
SMILESCCN(c1cccc(Cl)c1CN)C1CCCCC1
InChIInChI=1S/C15H23ClN2/c1-2-18(12-7-4-3-5-8-12)15-10-6-9-14(16)13(15)11-17/h6,9-10,12H,2-5,7-8,11,17H2,1H3
InChIKeyPXOHWELYTQSFGW-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.96
Rot. Bonds4

About 2-(aminomethyl)-3-chloro-N-cyclohexyl-N-ethylaniline

2-(aminomethyl)-3-chloro-N-cyclohexyl-N-ethylaniline (PubChem CID 28965176) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 2-(aminomethyl)-3-chloro-N-cyclohexyl-N-ethylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-3-chloro-N-cyclohexyl-N-ethylaniline
PubChem CID28965176
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name2-(aminomethyl)-3-chloro-N-cyclohexyl-N-ethylaniline
SMILESCCN(c1cccc(Cl)c1CN)C1CCCCC1
InChIInChI=1S/C15H23ClN2/c1-2-18(12-7-4-3-5-8-12)15-10-6-9-14(16)13(15)11-17/h6,9-10,12H,2-5,7-8,11,17H2,1H3
InChIKeyPXOHWELYTQSFGW-UHFFFAOYSA-N
XLogP3.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-chloro-N-cyclohexyl-N-ethylaniline?
The IUPAC name of 2-(aminomethyl)-3-chloro-N-cyclohexyl-N-ethylaniline (CID 28965176) is 2-(aminomethyl)-3-chloro-N-cyclohexyl-N-ethylaniline.
What is the SMILES notation for 2-(aminomethyl)-3-chloro-N-cyclohexyl-N-ethylaniline?
The canonical SMILES for 2-(aminomethyl)-3-chloro-N-cyclohexyl-N-ethylaniline is CCN(c1cccc(Cl)c1CN)C1CCCCC1.
What is the InChIKey of 2-(aminomethyl)-3-chloro-N-cyclohexyl-N-ethylaniline?
The InChIKey is PXOHWELYTQSFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-2-18(12-7-4-3-5-8-12)15-10-6-9-14(16)13(15)11-17/h6,9-10,12H,2-5,7-8,11,17H2,1H3.
What are the key properties of 2-(aminomethyl)-3-chloro-N-cyclohexyl-N-ethylaniline?
2-(aminomethyl)-3-chloro-N-cyclohexyl-N-ethylaniline has a molecular weight of 266.82 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-chloro-N-cyclohexyl-N-ethylaniline is sourced from PubChem (CID 28965176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).