N-[(2,3-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine

C16H23F2N — CID 107188961

IUPACN-[(2,3-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1F)C1CCCC1C
InChIInChI=1S/C16H23F2N/c1-3-10-19-16(12-7-4-6-11(12)2)13-8-5-9-14(17)15(13)18/h5,8-9,11-12,16,19H,3-4,6-7,10H2,1-2H3
InChIKeyBDNJZQMQEDFCOY-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.44
Rot. Bonds5

About N-[(2,3-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine

N-[(2,3-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine (PubChem CID 107188961) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
PubChem CID107188961
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC NameN-[(2,3-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1F)C1CCCC1C
InChIInChI=1S/C16H23F2N/c1-3-10-19-16(12-7-4-6-11(12)2)13-8-5-9-14(17)15(13)18/h5,8-9,11-12,16,19H,3-4,6-7,10H2,1-2H3
InChIKeyBDNJZQMQEDFCOY-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2,3-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-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

N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 107178295
N-[(2,4-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107177529
N-[(2-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107191403
N-[(2,3-difluorophenyl)-(3,5-dimethylcyclohexyl)methyl]propan-1-amine
CID 104989068
N-[(2-ethoxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107188648
N-[(2,3-difluorophenyl)-(thian-2-yl)methyl]propan-1-amine
CID 80626413
N-[(2-methylcyclopentyl)-(2,4,6-trifluorophenyl)methyl]propan-1-amine
CID 107177517
N-[(4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107177899
N-[bis(2,3-difluorophenyl)methyl]propan-1-amine
CID 115862083
N-[(2-cyclobutylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 114603534
N-[(3-chloro-2-fluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 64715701
N-[(4-chloro-2,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107177855

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,3-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine (CID 107188961) is N-[(2,3-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,3-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,3-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine is CCCNC(c1cccc(F)c1F)C1CCCC1C.
What is the InChIKey of N-[(2,3-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine?
The InChIKey is BDNJZQMQEDFCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-3-10-19-16(12-7-4-6-11(12)2)13-8-5-9-14(17)15(13)18/h5,8-9,11-12,16,19H,3-4,6-7,10H2,1-2H3.
What are the key properties of N-[(2,3-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine?
N-[(2,3-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine has a molecular weight of 267.36 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 107188961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).