(3S)-1-benzyl-N-(3-fluorophenyl)pyrrolidin-3-amine

C17H19FN2 — CID 29080908

IUPAC(3S)-1-benzyl-N-(3-fluorophenyl)pyrrolidin-3-amine
SMILESFc1cccc(N[C@H]2CCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C17H19FN2/c18-15-7-4-8-16(11-15)19-17-9-10-20(13-17)12-14-5-2-1-3-6-14/h1-8,11,17,19H,9-10,12-13H2/t17-/m0/s1
InChIKeyCIEOGISLVKTMAL-KRWDZBQOSA-N
MW270.35 g/mol
LogP3.51
Rot. Bonds4

About (3S)-1-benzyl-N-(3-fluorophenyl)pyrrolidin-3-amine

(3S)-1-benzyl-N-(3-fluorophenyl)pyrrolidin-3-amine (PubChem CID 29080908) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is (3S)-1-benzyl-N-(3-fluorophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-benzyl-N-(3-fluorophenyl)pyrrolidin-3-amine
PubChem CID29080908
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name(3S)-1-benzyl-N-(3-fluorophenyl)pyrrolidin-3-amine
SMILESFc1cccc(N[C@H]2CCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C17H19FN2/c18-15-7-4-8-16(11-15)19-17-9-10-20(13-17)12-14-5-2-1-3-6-14/h1-8,11,17,19H,9-10,12-13H2/t17-/m0/s1
InChIKeyCIEOGISLVKTMAL-KRWDZBQOSA-N
XLogP3.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-N-(3-bromo-4-fluorophenyl)pyrrolidin-3-amine
CID 104776249
1-benzyl-N-(2-chloro-4-fluorophenyl)pyrrolidin-3-amine
CID 43150727
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 39959483
1-benzyl-N-(3,5-dimethylphenyl)pyrrolidin-3-amine
CID 43150672
1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine
CID 65469717
3-[(1-benzylpiperidin-4-yl)amino]phenol
CID 28722324
1-(2-aminoethyl)-N-(3-fluorophenyl)piperidin-4-amine
CID 117027556
(3R)-1-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine
CID 71648802
N-(3-methylphenyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 61211943
2-chloro-4-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-6-methoxyphenol
CID 25378499
5-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-2-methoxyphenol
CID 42457494
methyl 2-[(1-benzylpyrrolidin-3-yl)amino]-5-fluorobenzoate
CID 113223887

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-N-(3-fluorophenyl)pyrrolidin-3-amine?
The IUPAC name of (3S)-1-benzyl-N-(3-fluorophenyl)pyrrolidin-3-amine (CID 29080908) is (3S)-1-benzyl-N-(3-fluorophenyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-benzyl-N-(3-fluorophenyl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-benzyl-N-(3-fluorophenyl)pyrrolidin-3-amine is Fc1cccc(N[C@H]2CCN(Cc3ccccc3)C2)c1.
What is the InChIKey of (3S)-1-benzyl-N-(3-fluorophenyl)pyrrolidin-3-amine?
The InChIKey is CIEOGISLVKTMAL-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19FN2/c18-15-7-4-8-16(11-15)19-17-9-10-20(13-17)12-14-5-2-1-3-6-14/h1-8,11,17,19H,9-10,12-13H2/t17-/m0/s1.
What are the key properties of (3S)-1-benzyl-N-(3-fluorophenyl)pyrrolidin-3-amine?
(3S)-1-benzyl-N-(3-fluorophenyl)pyrrolidin-3-amine has a molecular weight of 270.35 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-N-(3-fluorophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 29080908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).