2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylcyclohexan-1-amine

C15H21ClFN — CID 102637410

IUPAC2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCc1cc(F)ccc1CN(C)C1CCCCC1Cl
InChIInChI=1S/C15H21ClFN/c1-11-9-13(17)8-7-12(11)10-18(2)15-6-4-3-5-14(15)16/h7-9,14-15H,3-6,10H2,1-2H3
InChIKeyPPWQWLFEXIXDJB-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.12
Rot. Bonds3

About 2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylcyclohexan-1-amine

2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylcyclohexan-1-amine (PubChem CID 102637410) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is 2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylcyclohexan-1-amine
PubChem CID102637410
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC Name2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCc1cc(F)ccc1CN(C)C1CCCCC1Cl
InChIInChI=1S/C15H21ClFN/c1-11-9-13(17)8-7-12(11)10-18(2)15-6-4-3-5-14(15)16/h7-9,14-15H,3-6,10H2,1-2H3
InChIKeyPPWQWLFEXIXDJB-UHFFFAOYSA-N
XLogP4.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-[(4-fluoro-2-methylphenyl)methyl]cycloheptane
CID 114348646
2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
CID 114349118
N-[(2-bromo-4-fluorophenyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 55192224
N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N,2-dimethylcyclohexan-1-amine
CID 64770644
2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylcyclohexan-1-amine
CID 102637515
2-[[2-(aminomethyl)-4-fluorophenyl]methyl-methylamino]cyclohexan-1-ol
CID 102631680
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]cyclohexan-1-ol
CID 102636476
N-(2-chlorocyclohexyl)-2,4-difluoro-N-methylbenzenesulfonamide
CID 102638748
1-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluoro-2-methylbenzene
CID 114349477
1-cyclopentyl-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346848
1-[1-(dimethylamino)cyclopentyl]-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347290
2-[cyclopentyl-[(4-fluoro-2-methylphenyl)methyl]amino]-N'-hydroxyethanimidamide
CID 114346073

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylcyclohexan-1-amine (CID 102637410) is 2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylcyclohexan-1-amine is Cc1cc(F)ccc1CN(C)C1CCCCC1Cl.
What is the InChIKey of 2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is PPWQWLFEXIXDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-11-9-13(17)8-7-12(11)10-18(2)15-6-4-3-5-14(15)16/h7-9,14-15H,3-6,10H2,1-2H3.
What are the key properties of 2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylcyclohexan-1-amine?
2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylcyclohexan-1-amine has a molecular weight of 269.79 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 102637410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).