(2,4-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine

C16H22F2N2 — CID 79057699

IUPAC(2,4-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
SMILESNC(c1ccc(F)cc1F)C1(N2CCCC2)CCCC1
InChIInChI=1S/C16H22F2N2/c17-12-5-6-13(14(18)11-12)15(19)16(7-1-2-8-16)20-9-3-4-10-20/h5-6,11,15H,1-4,7-10,19H2
InChIKeyWPTHGKZXMDWWAA-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.37
Rot. Bonds3

About (2,4-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine

(2,4-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine (PubChem CID 79057699) has the molecular formula C16H22F2N2 and a molecular weight of 280.36 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
PubChem CID79057699
Molecular FormulaC16H22F2N2
Molecular Weight280.36 g/mol
Exact Mass280.18
IUPAC Name(2,4-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
SMILESNC(c1ccc(F)cc1F)C1(N2CCCC2)CCCC1
InChIInChI=1S/C16H22F2N2/c17-12-5-6-13(14(18)11-12)15(19)16(7-1-2-8-16)20-9-3-4-10-20/h5-6,11,15H,1-4,7-10,19H2
InChIKeyWPTHGKZXMDWWAA-UHFFFAOYSA-N
XLogP3.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol
CID 79057689
(2,5-dichlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
CID 79058950
1-[amino-(2,4-difluorophenyl)methyl]cyclopropan-1-amine
CID 116947042
(4-bromo-3-chloro-2-fluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
CID 106762721
(2,4-difluorophenyl)-(1-methoxycycloheptyl)methanamine
CID 116769928
[1-[amino-(2,4-difluorophenyl)methyl]cyclopropyl]methanol
CID 116943233
(3-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
CID 79058711
(2,4-difluorophenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine
CID 116943971
(1-aminocyclopentyl)-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
CID 119877513
(2,4-difluorophenyl)methanediamine
CID 116939170
2-(4-fluoro-2-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol
CID 114347509
(5-bromo-2-fluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol
CID 79742832

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine?
The IUPAC name of (2,4-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine (CID 79057699) is (2,4-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine.
What is the SMILES notation for (2,4-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine?
The canonical SMILES for (2,4-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine is NC(c1ccc(F)cc1F)C1(N2CCCC2)CCCC1.
What is the InChIKey of (2,4-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine?
The InChIKey is WPTHGKZXMDWWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2/c17-12-5-6-13(14(18)11-12)15(19)16(7-1-2-8-16)20-9-3-4-10-20/h5-6,11,15H,1-4,7-10,19H2.
What are the key properties of (2,4-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine?
(2,4-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine has a molecular weight of 280.36 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine is sourced from PubChem (CID 79057699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).