1-[(2,4-difluorophenyl)methyl]-4-methylcycloheptan-1-amine

C15H21F2N — CID 65080003

IUPAC1-[(2,4-difluorophenyl)methyl]-4-methylcycloheptan-1-amine
SMILESCC1CCCC(N)(Cc2ccc(F)cc2F)CC1
InChIInChI=1S/C15H21F2N/c1-11-3-2-7-15(18,8-6-11)10-12-4-5-13(16)9-14(12)17/h4-5,9,11H,2-3,6-8,10,18H2,1H3
InChIKeyCNOIIDDSHCZKDL-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.81
Rot. Bonds2

About 1-[(2,4-difluorophenyl)methyl]-4-methylcycloheptan-1-amine

1-[(2,4-difluorophenyl)methyl]-4-methylcycloheptan-1-amine (PubChem CID 65080003) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-4-methylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-4-methylcycloheptan-1-amine
PubChem CID65080003
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name1-[(2,4-difluorophenyl)methyl]-4-methylcycloheptan-1-amine
SMILESCC1CCCC(N)(Cc2ccc(F)cc2F)CC1
InChIInChI=1S/C15H21F2N/c1-11-3-2-7-15(18,8-6-11)10-12-4-5-13(16)9-14(12)17/h4-5,9,11H,2-3,6-8,10,18H2,1H3
InChIKeyCNOIIDDSHCZKDL-UHFFFAOYSA-N
XLogP3.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[(2,4-difluorophenyl)methyl]-4-methylcycloheptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-chloro-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65080210
1-[(4-chloro-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 114853407
1-[(2,5-difluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 64513632
1-[(2-chloro-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 102617497
1-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 64514094
[1-[(2,4-difluorophenyl)methyl]-3-methylcyclopentyl]methanamine
CID 65401068
1-[(4-chloro-3-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 114012591
1-[(3-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65079897
1-[(5-bromo-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 62595059
1-[(2-bromophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65080509
1-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 65029735
1-[(2,4-difluorophenyl)methyl]bicyclo[3.1.0]hexane
CID 140989722

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-4-methylcycloheptan-1-amine?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-4-methylcycloheptan-1-amine (CID 65080003) is 1-[(2,4-difluorophenyl)methyl]-4-methylcycloheptan-1-amine.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-4-methylcycloheptan-1-amine?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-4-methylcycloheptan-1-amine is CC1CCCC(N)(Cc2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-4-methylcycloheptan-1-amine?
The InChIKey is CNOIIDDSHCZKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-11-3-2-7-15(18,8-6-11)10-12-4-5-13(16)9-14(12)17/h4-5,9,11H,2-3,6-8,10,18H2,1H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-4-methylcycloheptan-1-amine?
1-[(2,4-difluorophenyl)methyl]-4-methylcycloheptan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-4-methylcycloheptan-1-amine is sourced from PubChem (CID 65080003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).