N-[[1-(3,5-difluorophenyl)cyclopentyl]methyl]ethanamine

C14H19F2N — CID 62595738

IUPACN-[[1-(3,5-difluorophenyl)cyclopentyl]methyl]ethanamine
SMILESCCNCC1(c2cc(F)cc(F)c2)CCCC1
InChIInChI=1S/C14H19F2N/c1-2-17-10-14(5-3-4-6-14)11-7-12(15)9-13(16)8-11/h7-9,17H,2-6,10H2,1H3
InChIKeyBKSKGCNINXGLOS-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.39
Rot. Bonds4

About N-[[1-(3,5-difluorophenyl)cyclopentyl]methyl]ethanamine

N-[[1-(3,5-difluorophenyl)cyclopentyl]methyl]ethanamine (PubChem CID 62595738) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is N-[[1-(3,5-difluorophenyl)cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3,5-difluorophenyl)cyclopentyl]methyl]ethanamine
PubChem CID62595738
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-[[1-(3,5-difluorophenyl)cyclopentyl]methyl]ethanamine
SMILESCCNCC1(c2cc(F)cc(F)c2)CCCC1
InChIInChI=1S/C14H19F2N/c1-2-17-10-14(5-3-4-6-14)11-7-12(15)9-13(16)8-11/h7-9,17H,2-6,10H2,1H3
InChIKeyBKSKGCNINXGLOS-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]ethanamine
CID 63511415
N-[[1-(3,5-difluorophenyl)-3-ethylcyclobutyl]methyl]ethanamine
CID 64999135
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]ethanamine
CID 62594197
N-[[1-(3,5-difluorophenyl)cyclopropyl]methyl]-2-methoxyethanamine
CID 62595001
N-[[2-(3-fluorophenyl)spiro[3.5]nonan-2-yl]methyl]ethanamine
CID 65007059
N-[(1-pyridin-4-ylcyclohexyl)methyl]ethanamine
CID 80525156
N-[[1-(3-methylphenyl)cyclobutyl]methyl]ethanamine
CID 62596821
2-[1-(3,5-difluorophenyl)cyclopentyl]ethanamine
CID 83823340
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]ethanamine
CID 62596968
[1-(3-fluoro-5-methylphenyl)cyclopentyl]methanamine
CID 84779814
N-[[1-(3-fluorophenyl)cycloheptyl]methyl]-2-methoxyethanamine
CID 62596617
N-[[1-(3,5-difluorophenyl)-3-propylcyclobutyl]methyl]propan-1-amine
CID 65011198

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,5-difluorophenyl)cyclopentyl]methyl]ethanamine?
The IUPAC name of N-[[1-(3,5-difluorophenyl)cyclopentyl]methyl]ethanamine (CID 62595738) is N-[[1-(3,5-difluorophenyl)cyclopentyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3,5-difluorophenyl)cyclopentyl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3,5-difluorophenyl)cyclopentyl]methyl]ethanamine is CCNCC1(c2cc(F)cc(F)c2)CCCC1.
What is the InChIKey of N-[[1-(3,5-difluorophenyl)cyclopentyl]methyl]ethanamine?
The InChIKey is BKSKGCNINXGLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-2-17-10-14(5-3-4-6-14)11-7-12(15)9-13(16)8-11/h7-9,17H,2-6,10H2,1H3.
What are the key properties of N-[[1-(3,5-difluorophenyl)cyclopentyl]methyl]ethanamine?
N-[[1-(3,5-difluorophenyl)cyclopentyl]methyl]ethanamine has a molecular weight of 239.31 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,5-difluorophenyl)cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 62595738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).