3-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine

C15H23ClN2 — CID 55145979

IUPAC3-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine
SMILESCN(Cc1ccccc1Cl)CC1CCCC(N)C1
InChIInChI=1S/C15H23ClN2/c1-18(10-12-5-4-7-14(17)9-12)11-13-6-2-3-8-15(13)16/h2-3,6,8,12,14H,4-5,7,9-11,17H2,1H3
InChIKeyLBZBDDTUORBJCI-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.29
Rot. Bonds4

About 3-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine

3-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine (PubChem CID 55145979) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 3-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine
PubChem CID55145979
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name3-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine
SMILESCN(Cc1ccccc1Cl)CC1CCCC(N)C1
InChIInChI=1S/C15H23ClN2/c1-18(10-12-5-4-7-14(17)9-12)11-13-6-2-3-8-15(13)16/h2-3,6,8,12,14H,4-5,7,9-11,17H2,1H3
InChIKeyLBZBDDTUORBJCI-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chlorophenyl)methyl-methylamino]-3-cyclopentylpropan-2-ol
CID 103159801
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
2-[[cyclopentylmethyl(methyl)amino]methyl]aniline
CID 61343922
N-[[2-[[cyclobutylmethyl(methyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62856940
2-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-one
CID 62614573
cis-(1R,3S)-3-amino-N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)cyclohexane-1-carboxamide;hydrochloride
CID 154910645
1-[5-[[(2-chlorophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine
CID 62413491
N-[(2-chlorophenyl)methyl]-N-methyl-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine
CID 106902030
2-[[(2-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-one
CID 62612570
3-[(dibenzylamino)methyl]cyclohexan-1-amine
CID 18447128
N-[(2,3-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815611
2-amino-N-[(2-chlorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119682653

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine?
The IUPAC name of 3-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine (CID 55145979) is 3-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine?
The canonical SMILES for 3-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine is CN(Cc1ccccc1Cl)CC1CCCC(N)C1.
What is the InChIKey of 3-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine?
The InChIKey is LBZBDDTUORBJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-18(10-12-5-4-7-14(17)9-12)11-13-6-2-3-8-15(13)16/h2-3,6,8,12,14H,4-5,7,9-11,17H2,1H3.
What are the key properties of 3-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine?
3-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine has a molecular weight of 266.82 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 55145979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).