4-(aminomethyl)-4-(3-chlorophenyl)cyclohexan-1-amine

C13H19ClN2 — CID 69039976

IUPAC4-(aminomethyl)-4-(3-chlorophenyl)cyclohexan-1-amine
SMILESNCC1(c2cccc(Cl)c2)CCC(N)CC1
InChIInChI=1S/C13H19ClN2/c14-11-3-1-2-10(8-11)13(9-15)6-4-12(16)5-7-13/h1-3,8,12H,4-7,9,15-16H2
InChIKeyLBDKGJIFQGIXOY-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.44
Rot. Bonds2

About 4-(aminomethyl)-4-(3-chlorophenyl)cyclohexan-1-amine

4-(aminomethyl)-4-(3-chlorophenyl)cyclohexan-1-amine (PubChem CID 69039976) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 4-(aminomethyl)-4-(3-chlorophenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(aminomethyl)-4-(3-chlorophenyl)cyclohexan-1-amine
PubChem CID69039976
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name4-(aminomethyl)-4-(3-chlorophenyl)cyclohexan-1-amine
SMILESNCC1(c2cccc(Cl)c2)CCC(N)CC1
InChIInChI=1S/C13H19ClN2/c14-11-3-1-2-10(8-11)13(9-15)6-4-12(16)5-7-13/h1-3,8,12H,4-7,9,15-16H2
InChIKeyLBDKGJIFQGIXOY-UHFFFAOYSA-N
XLogP2.44
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-4-(3-chlorophenyl)cyclohexan-1-amine?
The IUPAC name of 4-(aminomethyl)-4-(3-chlorophenyl)cyclohexan-1-amine (CID 69039976) is 4-(aminomethyl)-4-(3-chlorophenyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(aminomethyl)-4-(3-chlorophenyl)cyclohexan-1-amine?
The canonical SMILES for 4-(aminomethyl)-4-(3-chlorophenyl)cyclohexan-1-amine is NCC1(c2cccc(Cl)c2)CCC(N)CC1.
What is the InChIKey of 4-(aminomethyl)-4-(3-chlorophenyl)cyclohexan-1-amine?
The InChIKey is LBDKGJIFQGIXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c14-11-3-1-2-10(8-11)13(9-15)6-4-12(16)5-7-13/h1-3,8,12H,4-7,9,15-16H2.
What are the key properties of 4-(aminomethyl)-4-(3-chlorophenyl)cyclohexan-1-amine?
4-(aminomethyl)-4-(3-chlorophenyl)cyclohexan-1-amine has a molecular weight of 238.76 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-4-(3-chlorophenyl)cyclohexan-1-amine is sourced from PubChem (CID 69039976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).