1-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]-3-methylcyclohexan-1-amine

C15H20ClF2N — CID 65029735

IUPAC1-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(CCl)(NCc2ccc(F)cc2F)C1
InChIInChI=1S/C15H20ClF2N/c1-11-3-2-6-15(8-11,10-16)19-9-12-4-5-13(17)7-14(12)18/h4-5,7,11,19H,2-3,6,8-10H2,1H3
InChIKeyAHFVSCBMTXDCQV-UHFFFAOYSA-N
MW287.78 g/mol
LogP4.24
Rot. Bonds4

About 1-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]-3-methylcyclohexan-1-amine

1-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]-3-methylcyclohexan-1-amine (PubChem CID 65029735) has the molecular formula C15H20ClF2N and a molecular weight of 287.78 g/mol. Its IUPAC name is 1-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]-3-methylcyclohexan-1-amine
PubChem CID65029735
Molecular FormulaC15H20ClF2N
Molecular Weight287.78 g/mol
Exact Mass287.13
IUPAC Name1-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(CCl)(NCc2ccc(F)cc2F)C1
InChIInChI=1S/C15H20ClF2N/c1-11-3-2-6-15(8-11,10-16)19-9-12-4-5-13(17)7-14(12)18/h4-5,7,11,19H,2-3,6,8-10H2,1H3
InChIKeyAHFVSCBMTXDCQV-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.78
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-4-fluorophenyl)methyl]-1-(chloromethyl)-3-methylcyclohexan-1-amine
CID 65030414
[1-[(2-bromo-4-fluorophenyl)methylamino]-3-methylcyclohexyl]methanol
CID 62553023
1-(chloromethyl)-N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 65029964
1-(chloromethyl)-N-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-amine
CID 114349116
1-[[(2,4-difluorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61211353
N-[1-(chloromethyl)-3-methylcyclohexyl]-2,5-difluorobenzenesulfonamide
CID 65032875
N-[(4-bromophenyl)methyl]-1-(chloromethyl)-3-methylcyclohexan-1-amine
CID 65030016
N-(1-benzothiophen-3-ylmethyl)-1-(chloromethyl)-3-methylcyclohexan-1-amine
CID 65030020
N-[(4-bromo-2-fluorophenyl)methyl]-1-(chloromethyl)cyclohexan-1-amine
CID 65024824
N-[(2,4-difluorophenyl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65083467
1-[(2,4-difluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65080003
N-[1-(chloromethyl)-3-methylcyclohexyl]-5-fluoropyridin-2-amine
CID 65028300

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]-3-methylcyclohexan-1-amine?
The IUPAC name of 1-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]-3-methylcyclohexan-1-amine (CID 65029735) is 1-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for 1-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]-3-methylcyclohexan-1-amine is CC1CCCC(CCl)(NCc2ccc(F)cc2F)C1.
What is the InChIKey of 1-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]-3-methylcyclohexan-1-amine?
The InChIKey is AHFVSCBMTXDCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF2N/c1-11-3-2-6-15(8-11,10-16)19-9-12-4-5-13(17)7-14(12)18/h4-5,7,11,19H,2-3,6,8-10H2,1H3.
What are the key properties of 1-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]-3-methylcyclohexan-1-amine?
1-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]-3-methylcyclohexan-1-amine has a molecular weight of 287.78 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 65029735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).