(2-chloro-4,5-difluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanamine

C16H22ClF2N — CID 107475917

IUPAC(2-chloro-4,5-difluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanamine
SMILESCC(C)CC1(C(N)c2cc(F)c(F)cc2Cl)CCCC1
InChIInChI=1S/C16H22ClF2N/c1-10(2)9-16(5-3-4-6-16)15(20)11-7-13(18)14(19)8-12(11)17/h7-8,10,15H,3-6,9,20H2,1-2H3
InChIKeyFSPNJSDRIUOFII-UHFFFAOYSA-N
MW301.81 g/mol
LogP5.22
Rot. Bonds4

About (2-chloro-4,5-difluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanamine

(2-chloro-4,5-difluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanamine (PubChem CID 107475917) has the molecular formula C16H22ClF2N and a molecular weight of 301.81 g/mol. Its IUPAC name is (2-chloro-4,5-difluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name(2-chloro-4,5-difluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanamine
PubChem CID107475917
Molecular FormulaC16H22ClF2N
Molecular Weight301.81 g/mol
Exact Mass301.14
IUPAC Name(2-chloro-4,5-difluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanamine
SMILESCC(C)CC1(C(N)c2cc(F)c(F)cc2Cl)CCCC1
InChIInChI=1S/C16H22ClF2N/c1-10(2)9-16(5-3-4-6-16)15(20)11-7-13(18)14(19)8-12(11)17/h7-8,10,15H,3-6,9,20H2,1-2H3
InChIKeyFSPNJSDRIUOFII-UHFFFAOYSA-N
XLogP5.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.81
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze (2-chloro-4,5-difluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanamine 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

(2-chloro-4-fluoro-5-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol
CID 81045388
1-[bromo-[1-(2-methylpropyl)cyclopentyl]methyl]-2,4,5-trifluorobenzene
CID 103304190
1-(2-chloro-4,5-difluorophenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 107476268
2-(4-chloro-2-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 105055283
1-(2-chloro-4,5-difluorophenyl)propan-1-amine
CID 103693409
1-(2-chloro-4,5-difluorophenyl)-3,3-dimethylbutan-1-amine
CID 103852510
N-[(2-chloro-4,5-difluorophenyl)-(1-methylcyclopentyl)methyl]ethanamine
CID 107476482
2-(4-chloro-2-fluorophenyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 105055222
[(3,5-difluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methyl]hydrazine
CID 105301856
3,4-dihydro-2H-pyran-6-yl-[1-(2-methylpropyl)cyclopentyl]methanamine
CID 102649304
3,4-dihydro-2H-pyran-5-yl-[1-(2-methylpropyl)cyclopentyl]methanamine
CID 105033152
2-(2-chloro-3-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol
CID 115831198

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-difluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanamine?
The IUPAC name of (2-chloro-4,5-difluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanamine (CID 107475917) is (2-chloro-4,5-difluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanamine.
What is the SMILES notation for (2-chloro-4,5-difluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanamine?
The canonical SMILES for (2-chloro-4,5-difluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanamine is CC(C)CC1(C(N)c2cc(F)c(F)cc2Cl)CCCC1.
What is the InChIKey of (2-chloro-4,5-difluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanamine?
The InChIKey is FSPNJSDRIUOFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClF2N/c1-10(2)9-16(5-3-4-6-16)15(20)11-7-13(18)14(19)8-12(11)17/h7-8,10,15H,3-6,9,20H2,1-2H3.
What are the key properties of (2-chloro-4,5-difluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanamine?
(2-chloro-4,5-difluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanamine has a molecular weight of 301.81 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-difluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanamine is sourced from PubChem (CID 107475917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).