1-(2-chloro-5-fluorophenyl)-4-propylcycloheptan-1-amine

C16H23ClFN — CID 105394136

IUPAC1-(2-chloro-5-fluorophenyl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(N)(c2cc(F)ccc2Cl)CC1
InChIInChI=1S/C16H23ClFN/c1-2-4-12-5-3-9-16(19,10-8-12)14-11-13(18)6-7-15(14)17/h6-7,11-12H,2-5,8-10,19H2,1H3
InChIKeyYOJNFERVGBLGHQ-UHFFFAOYSA-N
MW283.82 g/mol
LogP5.01
Rot. Bonds3

About 1-(2-chloro-5-fluorophenyl)-4-propylcycloheptan-1-amine

1-(2-chloro-5-fluorophenyl)-4-propylcycloheptan-1-amine (PubChem CID 105394136) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-4-propylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-4-propylcycloheptan-1-amine
PubChem CID105394136
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC Name1-(2-chloro-5-fluorophenyl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(N)(c2cc(F)ccc2Cl)CC1
InChIInChI=1S/C16H23ClFN/c1-2-4-12-5-3-9-16(19,10-8-12)14-11-13(18)6-7-15(14)17/h6-7,11-12H,2-5,8-10,19H2,1H3
InChIKeyYOJNFERVGBLGHQ-UHFFFAOYSA-N
XLogP5.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.82
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-chloro-5-fluorophenyl)-4-propylcycloheptan-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-5-fluorophenyl)-4-ethylcyclohexan-1-amine
CID 105394086
1-(2-chloro-5-fluorophenyl)-4-methylcyclohexan-1-amine
CID 105394080
1-(4-bromo-3-chloro-2-fluorophenyl)-4-propylcycloheptan-1-amine
CID 106761658
1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcycloheptan-1-amine
CID 105373119
1-(2,5-difluorophenyl)-4-ethylcyclohexan-1-amine
CID 62802100
1-(3-fluoro-4-methoxyphenyl)-4-propylcycloheptan-1-amine
CID 65086410
1-naphthalen-2-yl-4-propylcycloheptan-1-amine
CID 65086646
1-(5-chloro-2-methoxyphenyl)-4-propylcyclohexan-1-amine
CID 63407297
1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcyclohexan-1-amine
CID 105373056
4-propyl-1-thiophen-3-ylcycloheptan-1-amine
CID 65100099
1-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63407677
1-(3,4-dimethylphenyl)-4-propylcyclohexan-1-amine
CID 55187144

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-4-propylcycloheptan-1-amine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-4-propylcycloheptan-1-amine (CID 105394136) is 1-(2-chloro-5-fluorophenyl)-4-propylcycloheptan-1-amine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-4-propylcycloheptan-1-amine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-4-propylcycloheptan-1-amine is CCCC1CCCC(N)(c2cc(F)ccc2Cl)CC1.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-4-propylcycloheptan-1-amine?
The InChIKey is YOJNFERVGBLGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-2-4-12-5-3-9-16(19,10-8-12)14-11-13(18)6-7-15(14)17/h6-7,11-12H,2-5,8-10,19H2,1H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-4-propylcycloheptan-1-amine?
1-(2-chloro-5-fluorophenyl)-4-propylcycloheptan-1-amine has a molecular weight of 283.82 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-4-propylcycloheptan-1-amine is sourced from PubChem (CID 105394136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).