N-[(2,5-difluorophenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine

C16H22F2N2 — CID 79543838

IUPACN-[(2,5-difluorophenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
SMILESFc1ccc(F)c(CNC2CCCC2C2CCCN2)c1
InChIInChI=1S/C16H22F2N2/c17-12-6-7-14(18)11(9-12)10-20-16-4-1-3-13(16)15-5-2-8-19-15/h6-7,9,13,15-16,19-20H,1-5,8,10H2
InChIKeyBYRGFBGZURIRLQ-UHFFFAOYSA-N
MW280.36 g/mol
LogP2.98
Rot. Bonds4

About N-[(2,5-difluorophenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine

N-[(2,5-difluorophenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine (PubChem CID 79543838) has the molecular formula C16H22F2N2 and a molecular weight of 280.36 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
PubChem CID79543838
Molecular FormulaC16H22F2N2
Molecular Weight280.36 g/mol
Exact Mass280.18
IUPAC NameN-[(2,5-difluorophenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
SMILESFc1ccc(F)c(CNC2CCCC2C2CCCN2)c1
InChIInChI=1S/C16H22F2N2/c17-12-6-7-14(18)11(9-12)10-20-16-4-1-3-13(16)15-5-2-8-19-15/h6-7,9,13,15-16,19-20H,1-5,8,10H2
InChIKeyBYRGFBGZURIRLQ-UHFFFAOYSA-N
XLogP2.98
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluorophenyl)methyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79544989
N-[(4-ethylphenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 106899423
N-[(2-chlorophenyl)methyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79545200
N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915014
N-benzyl-2-piperidin-2-ylcyclopentan-1-amine
CID 79545054
N-(1,2-oxazol-5-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 106414949
5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79544499
4-chloro-2-fluoro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79549651
2-(chloromethyl)-N-[(2,5-difluorophenyl)methyl]cyclohexan-1-amine
CID 106365209
2,6-dichloro-4-fluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 83078172
N-[(4-propan-2-ylphenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79537133
N-(pyridin-2-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79543889

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine (CID 79543838) is N-[(2,5-difluorophenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine is Fc1ccc(F)c(CNC2CCCC2C2CCCN2)c1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine?
The InChIKey is BYRGFBGZURIRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2/c17-12-6-7-14(18)11(9-12)10-20-16-4-1-3-13(16)15-5-2-8-19-15/h6-7,9,13,15-16,19-20H,1-5,8,10H2.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine?
N-[(2,5-difluorophenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine has a molecular weight of 280.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine is sourced from PubChem (CID 79543838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).