N-[(2,3-dichlorophenyl)methyl]-3-methylcyclohexan-1-amine

C14H19Cl2N — CID 43317453

IUPACN-[(2,3-dichlorophenyl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C14H19Cl2N/c1-10-4-2-6-12(8-10)17-9-11-5-3-7-13(15)14(11)16/h3,5,7,10,12,17H,2,4,6,8-9H2,1H3
InChIKeyYWKVBNWSXVHJSH-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.66
Rot. Bonds3

About N-[(2,3-dichlorophenyl)methyl]-3-methylcyclohexan-1-amine

N-[(2,3-dichlorophenyl)methyl]-3-methylcyclohexan-1-amine (PubChem CID 43317453) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-3-methylcyclohexan-1-amine
PubChem CID43317453
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C14H19Cl2N/c1-10-4-2-6-12(8-10)17-9-11-5-3-7-13(15)14(11)16/h3,5,7,10,12,17H,2,4,6,8-9H2,1H3
InChIKeyYWKVBNWSXVHJSH-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-[(2,3-dichlorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115671641
N-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 112651828
2-chloro-6-[[(3-methylcyclohexyl)amino]methyl]phenol
CID 112554031
3-methyl-N-(naphthalen-1-ylmethyl)cyclohexan-1-amine
CID 43317418
N-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43178807
N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride
CID 46835187
N-[2-(2,6-dichlorophenoxy)ethyl]-3-methylcyclohexan-1-amine
CID 63517342
N-[(2,3-dichlorophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43078350
methyl 2-[2-[[(3-methylcyclohexyl)amino]methyl]phenyl]acetate
CID 115461590
3-methyl-N-[(2-nitrophenyl)methyl]cyclohexan-1-amine
CID 43317674
3-methyl-N-[(2-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
CID 43432544
N-[(2,3-dichlorophenyl)methyl]oxan-4-amine
CID 43609707

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-3-methylcyclohexan-1-amine?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-3-methylcyclohexan-1-amine (CID 43317453) is N-[(2,3-dichlorophenyl)methyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-3-methylcyclohexan-1-amine is CC1CCCC(NCc2cccc(Cl)c2Cl)C1.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-3-methylcyclohexan-1-amine?
The InChIKey is YWKVBNWSXVHJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-10-4-2-6-12(8-10)17-9-11-5-3-7-13(15)14(11)16/h3,5,7,10,12,17H,2,4,6,8-9H2,1H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-3-methylcyclohexan-1-amine?
N-[(2,3-dichlorophenyl)methyl]-3-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-[(2,3-dichlorophenyl)methyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 43317453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).