1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]methanamine

C14H19Cl2N — CID 60789647

IUPAC1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]methanamine
SMILESClc1cc(Cl)cc(CNCC2CCCCC2)c1
InChIInChI=1S/C14H19Cl2N/c15-13-6-12(7-14(16)8-13)10-17-9-11-4-2-1-3-5-11/h6-8,11,17H,1-5,9-10H2
InChIKeyQBYKSCFSLOPPTN-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.66
Rot. Bonds4

About 1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]methanamine

1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]methanamine (PubChem CID 60789647) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]methanamine
PubChem CID60789647
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]methanamine
SMILESClc1cc(Cl)cc(CNCC2CCCCC2)c1
InChIInChI=1S/C14H19Cl2N/c15-13-6-12(7-14(16)8-13)10-17-9-11-4-2-1-3-5-11/h6-8,11,17H,1-5,9-10H2
InChIKeyQBYKSCFSLOPPTN-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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]-1-(oxan-2-yl)methanamine
CID 55014706
N-cyclopentyloxy-1-(3,5-dichlorophenyl)methanamine
CID 83229356
N-[(4-chloro-3-fluorophenyl)methyl]-1-cyclohexylmethanamine
CID 63423058
N-[(3-chloro-4-methylphenyl)methyl]-1-cyclohexylmethanamine
CID 106816234
3,5-dichloro-N-(cyclohexylmethyl)aniline
CID 18778534
N-[(3-bromophenyl)methyl]-1-cyclohexylmethanamine
CID 43215546
4-chloro-2-[(cyclohexylmethylamino)methyl]phenol
CID 25163929
4-[(cyclohexylmethylamino)methyl]aniline
CID 68506062
1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]methanamine
CID 43317354
1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43220454
N-[(3-chloro-5-fluorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine
CID 114452786
1-cyclopentyl-N-[(4-cyclopropylphenyl)methyl]methanamine
CID 79978986

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]methanamine?
The IUPAC name of 1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]methanamine (CID 60789647) is 1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]methanamine.
What is the SMILES notation for 1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]methanamine?
The canonical SMILES for 1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]methanamine is Clc1cc(Cl)cc(CNCC2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]methanamine?
The InChIKey is QBYKSCFSLOPPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c15-13-6-12(7-14(16)8-13)10-17-9-11-4-2-1-3-5-11/h6-8,11,17H,1-5,9-10H2.
What are the key properties of 1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]methanamine?
1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]methanamine has a molecular weight of 272.22 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]methanamine is sourced from PubChem (CID 60789647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).