[1-[(3,4-dichlorophenyl)methyl]cyclohexyl]methanamine

C14H19Cl2N — CID 63522504

IUPAC[1-[(3,4-dichlorophenyl)methyl]cyclohexyl]methanamine
SMILESNCC1(Cc2ccc(Cl)c(Cl)c2)CCCCC1
InChIInChI=1S/C14H19Cl2N/c15-12-5-4-11(8-13(12)16)9-14(10-17)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9-10,17H2
InChIKeyMPYLBHCHOBCDAB-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.45
Rot. Bonds3

About [1-[(3,4-dichlorophenyl)methyl]cyclohexyl]methanamine

[1-[(3,4-dichlorophenyl)methyl]cyclohexyl]methanamine (PubChem CID 63522504) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is [1-[(3,4-dichlorophenyl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(3,4-dichlorophenyl)methyl]cyclohexyl]methanamine
PubChem CID63522504
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name[1-[(3,4-dichlorophenyl)methyl]cyclohexyl]methanamine
SMILESNCC1(Cc2ccc(Cl)c(Cl)c2)CCCCC1
InChIInChI=1S/C14H19Cl2N/c15-12-5-4-11(8-13(12)16)9-14(10-17)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9-10,17H2
InChIKeyMPYLBHCHOBCDAB-UHFFFAOYSA-N
XLogP4.45
TPSA26.02 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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[(3,4-dichlorophenyl)methyl]cycloheptyl]methanamine
CID 65390706
1,2-dichloro-4-[[1-(chloromethyl)cyclopropyl]methyl]benzene
CID 66033323
[4-[(4-chloro-3-fluorophenyl)methyl]oxan-4-yl]methanamine
CID 107897457
(1-benzylcyclooctyl)methanamine
CID 80602159
(1-benzylcycloheptyl)methanamine
CID 65391702
1-[(3,4-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 94697451
N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(3,4-dichlorophenyl)methanamine
CID 103969053
[4-[[1-(aminomethyl)cyclopentyl]methyl]phenyl]methanol
CID 18999623
1-[(3,4-dichlorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79834366
4-(chloromethyl)-4-[(3,4-dichlorophenyl)methyl]oxane
CID 66035545
[1-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]methanamine
CID 82000970
[1-[(3-chloro-4-pyridinyl)methyl]cyclooctyl]methanamine
CID 80603981

Frequently Asked Questions

What is the IUPAC name of [1-[(3,4-dichlorophenyl)methyl]cyclohexyl]methanamine?
The IUPAC name of [1-[(3,4-dichlorophenyl)methyl]cyclohexyl]methanamine (CID 63522504) is [1-[(3,4-dichlorophenyl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[(3,4-dichlorophenyl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[(3,4-dichlorophenyl)methyl]cyclohexyl]methanamine is NCC1(Cc2ccc(Cl)c(Cl)c2)CCCCC1.
What is the InChIKey of [1-[(3,4-dichlorophenyl)methyl]cyclohexyl]methanamine?
The InChIKey is MPYLBHCHOBCDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c15-12-5-4-11(8-13(12)16)9-14(10-17)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9-10,17H2.
What are the key properties of [1-[(3,4-dichlorophenyl)methyl]cyclohexyl]methanamine?
[1-[(3,4-dichlorophenyl)methyl]cyclohexyl]methanamine has a molecular weight of 272.22 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,4-dichlorophenyl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 63522504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).