1-(2-chloro-4,5-difluorophenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine

C15H20ClF2N — CID 107476268

IUPAC1-(2-chloro-4,5-difluorophenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
SMILESCCC1(C(NC)c2cc(F)c(F)cc2Cl)CCCC1
InChIInChI=1S/C15H20ClF2N/c1-3-15(6-4-5-7-15)14(19-2)10-8-12(17)13(18)9-11(10)16/h8-9,14,19H,3-7H2,1-2H3
InChIKeyDJWQMRFLFWTQBK-UHFFFAOYSA-N
MW287.78 g/mol
LogP4.85
Rot. Bonds4

About 1-(2-chloro-4,5-difluorophenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine

1-(2-chloro-4,5-difluorophenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine (PubChem CID 107476268) has the molecular formula C15H20ClF2N and a molecular weight of 287.78 g/mol. Its IUPAC name is 1-(2-chloro-4,5-difluorophenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-4,5-difluorophenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
PubChem CID107476268
Molecular FormulaC15H20ClF2N
Molecular Weight287.78 g/mol
Exact Mass287.13
IUPAC Name1-(2-chloro-4,5-difluorophenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
SMILESCCC1(C(NC)c2cc(F)c(F)cc2Cl)CCCC1
InChIInChI=1S/C15H20ClF2N/c1-3-15(6-4-5-7-15)14(19-2)10-8-12(17)13(18)9-11(10)16/h8-9,14,19H,3-7H2,1-2H3
InChIKeyDJWQMRFLFWTQBK-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.78
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-chloro-4,5-difluorophenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine 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-chloro-4,5-difluorophenyl)-(1-methylcyclopentyl)methyl]ethanamine
CID 107476482
1-(2,3-difluoro-4-methylphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 107515341
[(2,5-dichlorophenyl)-(1-ethylcyclopentyl)methyl]hydrazine
CID 105302035
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 104545395
(2-chloro-4,5-difluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanamine
CID 107475917
2-(4-chloro-3-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine
CID 107891760
1-(5-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 105045875
1-(7-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 105048569
[(2,3-dichlorophenyl)-(1-ethylcyclopentyl)methyl]hydrazine
CID 105301693
N-[(1-ethylcyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 115852769
1-[(2-chloro-5-fluoro-4-methylphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile
CID 116958109
N-[(2-chloro-4,5-difluorophenyl)-(2,2-dimethylcyclohexyl)methyl]ethanamine
CID 107476517

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-difluorophenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine?
The IUPAC name of 1-(2-chloro-4,5-difluorophenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine (CID 107476268) is 1-(2-chloro-4,5-difluorophenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chloro-4,5-difluorophenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chloro-4,5-difluorophenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine is CCC1(C(NC)c2cc(F)c(F)cc2Cl)CCCC1.
What is the InChIKey of 1-(2-chloro-4,5-difluorophenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine?
The InChIKey is DJWQMRFLFWTQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF2N/c1-3-15(6-4-5-7-15)14(19-2)10-8-12(17)13(18)9-11(10)16/h8-9,14,19H,3-7H2,1-2H3.
What are the key properties of 1-(2-chloro-4,5-difluorophenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine?
1-(2-chloro-4,5-difluorophenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine has a molecular weight of 287.78 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,5-difluorophenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine is sourced from PubChem (CID 107476268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).