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

C15H21ClFN — CID 65080210

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
SMILESCC1CCCC(N)(Cc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C15H21ClFN/c1-11-3-2-7-15(18,8-6-11)10-12-4-5-13(17)9-14(12)16/h4-5,9,11H,2-3,6-8,10,18H2,1H3
InChIKeyBQUCLQNFNFYADJ-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.32
Rot. Bonds2

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

1-[(2-chloro-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine (PubChem CID 65080210) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
PubChem CID65080210
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
SMILESCC1CCCC(N)(Cc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C15H21ClFN/c1-11-3-2-7-15(18,8-6-11)10-12-4-5-13(17)9-14(12)16/h4-5,9,11H,2-3,6-8,10,18H2,1H3
InChIKeyBQUCLQNFNFYADJ-UHFFFAOYSA-N
XLogP4.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2,4-difluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65080003
1-[(2-chloro-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 102617497
1-[(2-chloro-4-fluorophenyl)methyl]-3,3,5-trimethylcyclohexan-1-amine
CID 55188085
1-[(4-chloro-3-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 114012591
1-[(4-chloro-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 114853407
4-[(2-chloro-4-fluorophenyl)methyl]oxepan-4-amine
CID 65081829
4-[(2-chloro-4-fluorophenyl)methyl]oxan-4-amine
CID 63220505
N-[(2-chloro-4-fluorophenyl)methyl]-1-(chloromethyl)-3-methylcyclohexan-1-amine
CID 65030414
1-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 64514094
1-[(2,5-difluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 64513632
1-[(2-chloro-5-fluorophenyl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 102617560
1-[(2-chloro-4-fluorophenyl)methyl]-2-methylcyclohexan-1-ol
CID 65147740

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine (CID 65080210) is 1-[(2-chloro-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine is CC1CCCC(N)(Cc2ccc(F)cc2Cl)CC1.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine?
The InChIKey is BQUCLQNFNFYADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-11-3-2-7-15(18,8-6-11)10-12-4-5-13(17)9-14(12)16/h4-5,9,11H,2-3,6-8,10,18H2,1H3.
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine?
1-[(2-chloro-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine has a molecular weight of 269.79 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine is sourced from PubChem (CID 65080210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).