(3S)-N-[(2-phenylphenyl)methyl]pyrrolidin-3-amine

C17H20N2 — CID 44578367

IUPAC(3S)-N-[(2-phenylphenyl)methyl]pyrrolidin-3-amine
SMILESc1ccc(-c2ccccc2CN[C@H]2CCNC2)cc1
InChIInChI=1S/C17H20N2/c1-2-6-14(7-3-1)17-9-5-4-8-15(17)12-19-16-10-11-18-13-16/h1-9,16,18-19H,10-13H2/t16-/m0/s1
InChIKeyDGKNIGATLZIOSX-INIZCTEOSA-N
MW252.36 g/mol
LogP2.81
Rot. Bonds4

About (3S)-N-[(2-phenylphenyl)methyl]pyrrolidin-3-amine

(3S)-N-[(2-phenylphenyl)methyl]pyrrolidin-3-amine (PubChem CID 44578367) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (3S)-N-[(2-phenylphenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-[(2-phenylphenyl)methyl]pyrrolidin-3-amine
PubChem CID44578367
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name(3S)-N-[(2-phenylphenyl)methyl]pyrrolidin-3-amine
SMILESc1ccc(-c2ccccc2CN[C@H]2CCNC2)cc1
InChIInChI=1S/C17H20N2/c1-2-6-14(7-3-1)17-9-5-4-8-15(17)12-19-16-10-11-18-13-16/h1-9,16,18-19H,10-13H2/t16-/m0/s1
InChIKeyDGKNIGATLZIOSX-INIZCTEOSA-N
XLogP2.81
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2-phenylphenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-N-[(2-phenylphenyl)methyl]pyrrolidin-3-amine (CID 44578367) is (3S)-N-[(2-phenylphenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-[(2-phenylphenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-N-[(2-phenylphenyl)methyl]pyrrolidin-3-amine is c1ccc(-c2ccccc2CN[C@H]2CCNC2)cc1.
What is the InChIKey of (3S)-N-[(2-phenylphenyl)methyl]pyrrolidin-3-amine?
The InChIKey is DGKNIGATLZIOSX-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20N2/c1-2-6-14(7-3-1)17-9-5-4-8-15(17)12-19-16-10-11-18-13-16/h1-9,16,18-19H,10-13H2/t16-/m0/s1.
What are the key properties of (3S)-N-[(2-phenylphenyl)methyl]pyrrolidin-3-amine?
(3S)-N-[(2-phenylphenyl)methyl]pyrrolidin-3-amine has a molecular weight of 252.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2-phenylphenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 44578367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).