N-[(3,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine

C14H19Cl2N — CID 60790274

IUPACN-[(3,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(NCc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C14H19Cl2N/c1-10-2-4-14(5-3-10)17-9-11-6-12(15)8-13(16)7-11/h6-8,10,14,17H,2-5,9H2,1H3
InChIKeyYUWBDGFXFXIFMN-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.66
Rot. Bonds3

About N-[(3,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine

N-[(3,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine (PubChem CID 60790274) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
PubChem CID60790274
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(NCc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C14H19Cl2N/c1-10-2-4-14(5-3-10)17-9-11-6-12(15)8-13(16)7-11/h6-8,10,14,17H,2-5,9H2,1H3
InChIKeyYUWBDGFXFXIFMN-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63456354
N-[(3,5-dichlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993891
N-[(3-chloro-5-methylphenyl)methyl]cyclobutanamine
CID 130727776
N-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 65316304
N-[(3-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 114452769
N-[(3-bromo-4-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 28551294
N-[[3-chloro-5-(3-methoxyprop-1-enyl)phenyl]methyl]cyclopropanamine
CID 66896178
N-[[4-(3,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 114879154
N-[(3,5-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 60788665
cyclopropyl-[4-[(3,5-dichlorophenyl)methylamino]piperidin-1-yl]methanone
CID 60789546
N-[(3,5-dichloro-4-methoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 51138205
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methylcyclohexan-1-amine
CID 28615139

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine (CID 60790274) is N-[(3,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine is CC1CCC(NCc2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine?
The InChIKey is YUWBDGFXFXIFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-10-2-4-14(5-3-10)17-9-11-6-12(15)8-13(16)7-11/h6-8,10,14,17H,2-5,9H2,1H3.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine?
N-[(3,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine has a molecular weight of 272.22 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 60790274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).