N-[(3-chloro-4-fluorophenyl)methyl]-2-methylcycloheptan-1-amine

C15H21ClFN — CID 81145754

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-2-methylcycloheptan-1-amine
SMILESCC1CCCCCC1NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H21ClFN/c1-11-5-3-2-4-6-15(11)18-10-12-7-8-14(17)13(16)9-12/h7-9,11,15,18H,2-6,10H2,1H3
InChIKeyFGYROJWXWFKBRW-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.54
Rot. Bonds3

About N-[(3-chloro-4-fluorophenyl)methyl]-2-methylcycloheptan-1-amine

N-[(3-chloro-4-fluorophenyl)methyl]-2-methylcycloheptan-1-amine (PubChem CID 81145754) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-2-methylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-2-methylcycloheptan-1-amine
PubChem CID81145754
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-2-methylcycloheptan-1-amine
SMILESCC1CCCCCC1NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H21ClFN/c1-11-5-3-2-4-6-15(11)18-10-12-7-8-14(17)13(16)9-12/h7-9,11,15,18H,2-6,10H2,1H3
InChIKeyFGYROJWXWFKBRW-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-2-methoxycyclopentan-1-amine
CID 81144626
N-[(3-chloro-4-fluorophenyl)methyl]-2-methylthiolan-3-amine
CID 102671917
N-[(4-chloro-2-fluorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 114749969
1-N,2-N-bis[(4-chlorophenyl)methyl]cyclohexane-1,2-diamine
CID 51040605
N-[(3,4-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 43081867
2-[(3-chloro-4-fluorophenyl)methylamino]cyclobutane-1-carboxylic acid
CID 103248806
2-methyl-N-[(2,4,5-trifluorophenyl)methyl]cyclopentan-1-amine
CID 103792995
N-[[3-(difluoromethyl)phenyl]methyl]-2-methylcycloheptan-1-amine
CID 115526581
4-fluoro-3-[[(2-methylcyclohexyl)amino]methyl]benzonitrile
CID 43179956
N-[(3-chloro-4-fluorophenyl)methyl]spiro[3.5]nonan-3-amine
CID 102951843
N-[(4-chloro-3-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994116
4-tert-butyl-N-[(3-chloro-4-fluorophenyl)methyl]cyclohexan-1-amine
CID 63476637

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2-methylcycloheptan-1-amine?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2-methylcycloheptan-1-amine (CID 81145754) is N-[(3-chloro-4-fluorophenyl)methyl]-2-methylcycloheptan-1-amine.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-2-methylcycloheptan-1-amine?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-2-methylcycloheptan-1-amine is CC1CCCCCC1NCc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-2-methylcycloheptan-1-amine?
The InChIKey is FGYROJWXWFKBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-11-5-3-2-4-6-15(11)18-10-12-7-8-14(17)13(16)9-12/h7-9,11,15,18H,2-6,10H2,1H3.
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-2-methylcycloheptan-1-amine?
N-[(3-chloro-4-fluorophenyl)methyl]-2-methylcycloheptan-1-amine has a molecular weight of 269.79 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-2-methylcycloheptan-1-amine is sourced from PubChem (CID 81145754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).