(4R)-1-benzyl-4-(3,5-difluorophenyl)pyrrolidin-3-amine

C17H18F2N2 — CID 146550494

IUPAC(4R)-1-benzyl-4-(3,5-difluorophenyl)pyrrolidin-3-amine
SMILESNC1CN(Cc2ccccc2)C[C@H]1c1cc(F)cc(F)c1
InChIInChI=1S/C17H18F2N2/c18-14-6-13(7-15(19)8-14)16-10-21(11-17(16)20)9-12-4-2-1-3-5-12/h1-8,16-17H,9-11,20H2/t16-,17?/m0/s1
InChIKeyFKMPIHRHUBVFGA-BHWOMJMDSA-N
MW288.34 g/mol
LogP2.89
Rot. Bonds3

About (4R)-1-benzyl-4-(3,5-difluorophenyl)pyrrolidin-3-amine

(4R)-1-benzyl-4-(3,5-difluorophenyl)pyrrolidin-3-amine (PubChem CID 146550494) has the molecular formula C17H18F2N2 and a molecular weight of 288.34 g/mol. Its IUPAC name is (4R)-1-benzyl-4-(3,5-difluorophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(4R)-1-benzyl-4-(3,5-difluorophenyl)pyrrolidin-3-amine
PubChem CID146550494
Molecular FormulaC17H18F2N2
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name(4R)-1-benzyl-4-(3,5-difluorophenyl)pyrrolidin-3-amine
SMILESNC1CN(Cc2ccccc2)C[C@H]1c1cc(F)cc(F)c1
InChIInChI=1S/C17H18F2N2/c18-14-6-13(7-15(19)8-14)16-10-21(11-17(16)20)9-12-4-2-1-3-5-12/h1-8,16-17H,9-11,20H2/t16-,17?/m0/s1
InChIKeyFKMPIHRHUBVFGA-BHWOMJMDSA-N
XLogP2.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-(3,5-dichlorophenyl)pyrrolidin-3-amine
CID 131117119
(3R,4S)-1-benzyl-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 66606644
(3S,4R)-1-benzyl-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 139593254
(3R,4S)-1-benzyl-4-(6-methyl-3-pyridinyl)pyrrolidin-3-amine
CID 146402230
(3S,4R)-1-[(5-chloro-2-fluorophenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770008
(3S,4R)-1-[(3-fluoro-4-methylphenyl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120770001
(3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)pyrrolidin-3-amine
CID 129353823
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
1-benzylpyrrolidine-3,4-diamine;cyclobutane-1,2-diamine;cyclopropane-1,2-diamine
CID 158227606
(3S,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120846809
(3S,4R)-1-[(2-bromo-4-fluorophenyl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120761348
(3S,4R)-1-[[4-(difluoromethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120761188

Frequently Asked Questions

What is the IUPAC name of (4R)-1-benzyl-4-(3,5-difluorophenyl)pyrrolidin-3-amine?
The IUPAC name of (4R)-1-benzyl-4-(3,5-difluorophenyl)pyrrolidin-3-amine (CID 146550494) is (4R)-1-benzyl-4-(3,5-difluorophenyl)pyrrolidin-3-amine.
What is the SMILES notation for (4R)-1-benzyl-4-(3,5-difluorophenyl)pyrrolidin-3-amine?
The canonical SMILES for (4R)-1-benzyl-4-(3,5-difluorophenyl)pyrrolidin-3-amine is NC1CN(Cc2ccccc2)C[C@H]1c1cc(F)cc(F)c1.
What is the InChIKey of (4R)-1-benzyl-4-(3,5-difluorophenyl)pyrrolidin-3-amine?
The InChIKey is FKMPIHRHUBVFGA-BHWOMJMDSA-N. The full InChI is InChI=1S/C17H18F2N2/c18-14-6-13(7-15(19)8-14)16-10-21(11-17(16)20)9-12-4-2-1-3-5-12/h1-8,16-17H,9-11,20H2/t16-,17?/m0/s1.
What are the key properties of (4R)-1-benzyl-4-(3,5-difluorophenyl)pyrrolidin-3-amine?
(4R)-1-benzyl-4-(3,5-difluorophenyl)pyrrolidin-3-amine has a molecular weight of 288.34 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-benzyl-4-(3,5-difluorophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 146550494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).