(2,4-difluorophenyl)-(2-methylcyclopentyl)methanamine

C13H17F2N — CID 107177000

IUPAC(2,4-difluorophenyl)-(2-methylcyclopentyl)methanamine
SMILESCC1CCCC1C(N)c1ccc(F)cc1F
InChIInChI=1S/C13H17F2N/c1-8-3-2-4-10(8)13(16)11-6-5-9(14)7-12(11)15/h5-8,10,13H,2-4,16H2,1H3
InChIKeyAEQCOAPBRWXBTI-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.40
Rot. Bonds2

About (2,4-difluorophenyl)-(2-methylcyclopentyl)methanamine

(2,4-difluorophenyl)-(2-methylcyclopentyl)methanamine (PubChem CID 107177000) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(2-methylcyclopentyl)methanamine.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(2-methylcyclopentyl)methanamine
PubChem CID107177000
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name(2,4-difluorophenyl)-(2-methylcyclopentyl)methanamine
SMILESCC1CCCC1C(N)c1ccc(F)cc1F
InChIInChI=1S/C13H17F2N/c1-8-3-2-4-10(8)13(16)11-6-5-9(14)7-12(11)15/h5-8,10,13H,2-4,16H2,1H3
InChIKeyAEQCOAPBRWXBTI-UHFFFAOYSA-N
XLogP3.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-fluorophenyl)-(2-methylcyclopentyl)methanamine
CID 107188100
(5-fluoro-2-methoxyphenyl)-(2-methylcyclopentyl)methanamine
CID 107177071
(2-fluoro-4,5-dimethoxyphenyl)-(2-methylcyclopentyl)methanamine
CID 107177787
N-[(2,4-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107177529
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-methylcyclopentyl)methanamine
CID 107178298
1-(2,4-difluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 107520774
(2,4-difluorophenyl)methanediamine
CID 116939170
[2-(2,5-difluorophenyl)-1-(2-methylcyclopentyl)ethyl]hydrazine
CID 107193433
2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine
CID 107188247
N'-(cyclobutylmethyl)-1-(2,4-difluorophenyl)-N'-methylethane-1,2-diamine
CID 107520835
1-(2,4-difluorophenyl)-N-[(2-methylcyclohexyl)methyl]ethanamine
CID 63453969
[(2,4-difluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105210328

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(2-methylcyclopentyl)methanamine?
The IUPAC name of (2,4-difluorophenyl)-(2-methylcyclopentyl)methanamine (CID 107177000) is (2,4-difluorophenyl)-(2-methylcyclopentyl)methanamine.
What is the SMILES notation for (2,4-difluorophenyl)-(2-methylcyclopentyl)methanamine?
The canonical SMILES for (2,4-difluorophenyl)-(2-methylcyclopentyl)methanamine is CC1CCCC1C(N)c1ccc(F)cc1F.
What is the InChIKey of (2,4-difluorophenyl)-(2-methylcyclopentyl)methanamine?
The InChIKey is AEQCOAPBRWXBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-8-3-2-4-10(8)13(16)11-6-5-9(14)7-12(11)15/h5-8,10,13H,2-4,16H2,1H3.
What are the key properties of (2,4-difluorophenyl)-(2-methylcyclopentyl)methanamine?
(2,4-difluorophenyl)-(2-methylcyclopentyl)methanamine has a molecular weight of 225.28 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(2-methylcyclopentyl)methanamine is sourced from PubChem (CID 107177000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).