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

C14H19F2N — CID 63820897

IUPAC1-(2,3-difluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
SMILESCC1(CNCc2cccc(F)c2F)CCCC1
InChIInChI=1S/C14H19F2N/c1-14(7-2-3-8-14)10-17-9-11-5-4-6-12(15)13(11)16/h4-6,17H,2-3,7-10H2,1H3
InChIKeyNOHJEFLOXFJCOA-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.63
Rot. Bonds4

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

1-(2,3-difluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine (PubChem CID 63820897) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
PubChem CID63820897
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-(2,3-difluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
SMILESCC1(CNCc2cccc(F)c2F)CCCC1
InChIInChI=1S/C14H19F2N/c1-14(7-2-3-8-14)10-17-9-11-5-4-6-12(15)13(11)16/h4-6,17H,2-3,7-10H2,1H3
InChIKeyNOHJEFLOXFJCOA-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-Methylbenzylamine
CID 7669
Isopropylbenzylamine
CID 66024
N-Ethylbenzylamine
CID 84352
N-Propylbenzylamine
CID 74850
N-(1,1-Dimethylethyl)benzenemethanamine
CID 76908
1,2-Ethanediamine, N1,N1-dimethyl-N2-(phenylmethyl)-
CID 66029
N-Butylbenzylamine
CID 75467
Methylbenzylamine hydrochloride
CID 9855548
N-Butyl-alpha-methylbenzenemethanamine
CID 21518
2-Fluoro-N-methylbenzylamine
CID 2060842
Benzenemethanamine, N-methyl-4-(trifluoromethyl)-
CID 485420
Benzyl[(4-fluorophenyl)methyl]amine
CID 784761

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine (CID 63820897) is 1-(2,3-difluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine is CC1(CNCc2cccc(F)c2F)CCCC1.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine?
The InChIKey is NOHJEFLOXFJCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-14(7-2-3-8-14)10-17-9-11-5-4-6-12(15)13(11)16/h4-6,17H,2-3,7-10H2,1H3.
What are the key properties of 1-(2,3-difluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine?
1-(2,3-difluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine has a molecular weight of 239.31 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine is sourced from PubChem (CID 63820897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).