N-[[2-[(2-chloro-3-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine

C17H25ClFN — CID 115984723

IUPACN-[[2-[(2-chloro-3-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine
SMILESCCNCC1CCCCCC1Cc1cccc(F)c1Cl
InChIInChI=1S/C17H25ClFN/c1-2-20-12-15-8-5-3-4-7-13(15)11-14-9-6-10-16(19)17(14)18/h6,9-10,13,15,20H,2-5,7-8,11-12H2,1H3
InChIKeyMJACPXAWXVSGEC-UHFFFAOYSA-N
MW297.84 g/mol
LogP4.83
Rot. Bonds5

About N-[[2-[(2-chloro-3-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine

N-[[2-[(2-chloro-3-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine (PubChem CID 115984723) has the molecular formula C17H25ClFN and a molecular weight of 297.84 g/mol. Its IUPAC name is N-[[2-[(2-chloro-3-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(2-chloro-3-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine
PubChem CID115984723
Molecular FormulaC17H25ClFN
Molecular Weight297.84 g/mol
Exact Mass297.17
IUPAC NameN-[[2-[(2-chloro-3-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine
SMILESCCNCC1CCCCCC1Cc1cccc(F)c1Cl
InChIInChI=1S/C17H25ClFN/c1-2-20-12-15-8-5-3-4-7-13(15)11-14-9-6-10-16(19)17(14)18/h6,9-10,13,15,20H,2-5,7-8,11-12H2,1H3
InChIKeyMJACPXAWXVSGEC-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.84
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[2-[(2-chloro-3-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine 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

N-[[2-[(2-fluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81026010
[2-[(2-chloro-3-fluorophenyl)methyl]cyclohexyl]methanamine
CID 112655044
N-[[2-[(3-chloro-2-fluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 102864466
N-[[2-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81028870
N-[[2-[(2-methylphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 81033027
N-[[2-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]ethanamine
CID 81028833
N-[[2-[(2,4-dichlorophenyl)methyl]cyclohexyl]methyl]ethanamine
CID 81028134
N-[[2-[(3-chloro-4-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine
CID 103042344
1-[2-[(3-chloro-2-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine
CID 102864464
2-[(2-chloro-3-fluorophenyl)methyl]cyclopentan-1-amine
CID 112652653
N-[[2-[(4-chloro-2-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 114862675
[2-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 112652136

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chloro-3-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(2-chloro-3-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine (CID 115984723) is N-[[2-[(2-chloro-3-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(2-chloro-3-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(2-chloro-3-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine is CCNCC1CCCCCC1Cc1cccc(F)c1Cl.
What is the InChIKey of N-[[2-[(2-chloro-3-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine?
The InChIKey is MJACPXAWXVSGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFN/c1-2-20-12-15-8-5-3-4-7-13(15)11-14-9-6-10-16(19)17(14)18/h6,9-10,13,15,20H,2-5,7-8,11-12H2,1H3.
What are the key properties of N-[[2-[(2-chloro-3-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine?
N-[[2-[(2-chloro-3-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine has a molecular weight of 297.84 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-chloro-3-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine is sourced from PubChem (CID 115984723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).