(1R)-1-[4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine

C18H22N2 — CID 78935368

IUPAC(1R)-1-[4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(N2CCC(c3ccccc3)C2)cc1
InChIInChI=1S/C18H22N2/c1-14(19)15-7-9-18(10-8-15)20-12-11-17(13-20)16-5-3-2-4-6-16/h2-10,14,17H,11-13,19H2,1H3/t14-,17?/m1/s1
InChIKeyGBBHVCUSYKWNBF-XPCCGILXSA-N
MW266.39 g/mol
LogP3.70
Rot. Bonds3

About (1R)-1-[4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine

(1R)-1-[4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine (PubChem CID 78935368) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is (1R)-1-[4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine
PubChem CID78935368
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name(1R)-1-[4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(N2CCC(c3ccccc3)C2)cc1
InChIInChI=1S/C18H22N2/c1-14(19)15-7-9-18(10-8-15)20-12-11-17(13-20)16-5-3-2-4-6-16/h2-10,14,17H,11-13,19H2,1H3/t14-,17?/m1/s1
InChIKeyGBBHVCUSYKWNBF-XPCCGILXSA-N
XLogP3.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine (CID 78935368) is (1R)-1-[4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine is C[C@@H](N)c1ccc(N2CCC(c3ccccc3)C2)cc1.
What is the InChIKey of (1R)-1-[4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine?
The InChIKey is GBBHVCUSYKWNBF-XPCCGILXSA-N. The full InChI is InChI=1S/C18H22N2/c1-14(19)15-7-9-18(10-8-15)20-12-11-17(13-20)16-5-3-2-4-6-16/h2-10,14,17H,11-13,19H2,1H3/t14-,17?/m1/s1.
What are the key properties of (1R)-1-[4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine?
(1R)-1-[4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine has a molecular weight of 266.39 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 78935368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).