N-[(2-chloro-4,5-difluorophenyl)-(1-methylcyclopentyl)methyl]ethanamine

C15H20ClF2N — CID 107476482

IUPACN-[(2-chloro-4,5-difluorophenyl)-(1-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1cc(F)c(F)cc1Cl)C1(C)CCCC1
InChIInChI=1S/C15H20ClF2N/c1-3-19-14(15(2)6-4-5-7-15)10-8-12(17)13(18)9-11(10)16/h8-9,14,19H,3-7H2,1-2H3
InChIKeyOFDRZHDKRFFHKS-UHFFFAOYSA-N
MW287.78 g/mol
LogP4.85
Rot. Bonds4

About N-[(2-chloro-4,5-difluorophenyl)-(1-methylcyclopentyl)methyl]ethanamine

N-[(2-chloro-4,5-difluorophenyl)-(1-methylcyclopentyl)methyl]ethanamine (PubChem CID 107476482) has the molecular formula C15H20ClF2N and a molecular weight of 287.78 g/mol. Its IUPAC name is N-[(2-chloro-4,5-difluorophenyl)-(1-methylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-4,5-difluorophenyl)-(1-methylcyclopentyl)methyl]ethanamine
PubChem CID107476482
Molecular FormulaC15H20ClF2N
Molecular Weight287.78 g/mol
Exact Mass287.13
IUPAC NameN-[(2-chloro-4,5-difluorophenyl)-(1-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1cc(F)c(F)cc1Cl)C1(C)CCCC1
InChIInChI=1S/C15H20ClF2N/c1-3-19-14(15(2)6-4-5-7-15)10-8-12(17)13(18)9-11(10)16/h8-9,14,19H,3-7H2,1-2H3
InChIKeyOFDRZHDKRFFHKS-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'}

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Related Compounds

N-[(2,5-dichloro-4-methoxyphenyl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106827158
N-[(2-chlorophenyl)-(1-methylcyclopentyl)methyl]ethanamine
CID 115801708
1-(2-chloro-4,5-difluorophenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 107476268
N-[(2-chloro-4,5-difluorophenyl)-(2,2-dimethylcyclohexyl)methyl]ethanamine
CID 107476517
N-[(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methyl]ethanamine
CID 105038430
N-[(5-bromo-4-fluoro-2-methoxyphenyl)-(1-methylcyclopentyl)methyl]ethanamine
CID 103394756
N-[(4-fluoro-2,6-dimethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106878275
N-[(2,5-diethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106827045
N-[(4-fluorophenyl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106826887
N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(1-methylcyclopentyl)methyl]ethanamine
CID 104545625
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine
CID 107891871
1-[(2,5-dichlorophenyl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79062523

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4,5-difluorophenyl)-(1-methylcyclopentyl)methyl]ethanamine?
The IUPAC name of N-[(2-chloro-4,5-difluorophenyl)-(1-methylcyclopentyl)methyl]ethanamine (CID 107476482) is N-[(2-chloro-4,5-difluorophenyl)-(1-methylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chloro-4,5-difluorophenyl)-(1-methylcyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[(2-chloro-4,5-difluorophenyl)-(1-methylcyclopentyl)methyl]ethanamine is CCNC(c1cc(F)c(F)cc1Cl)C1(C)CCCC1.
What is the InChIKey of N-[(2-chloro-4,5-difluorophenyl)-(1-methylcyclopentyl)methyl]ethanamine?
The InChIKey is OFDRZHDKRFFHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF2N/c1-3-19-14(15(2)6-4-5-7-15)10-8-12(17)13(18)9-11(10)16/h8-9,14,19H,3-7H2,1-2H3.
What are the key properties of N-[(2-chloro-4,5-difluorophenyl)-(1-methylcyclopentyl)methyl]ethanamine?
N-[(2-chloro-4,5-difluorophenyl)-(1-methylcyclopentyl)methyl]ethanamine 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 N-[(2-chloro-4,5-difluorophenyl)-(1-methylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 107476482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).