(1R)-1-phenyl-N-[(2-phenylphenyl)methyl]ethanamine

C21H21N — CID 15651974

IUPAC(1R)-1-phenyl-N-[(2-phenylphenyl)methyl]ethanamine
SMILESC[C@@H](NCc1ccccc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21N/c1-17(18-10-4-2-5-11-18)22-16-20-14-8-9-15-21(20)19-12-6-3-7-13-19/h2-15,17,22H,16H2,1H3/t17-/m1/s1
InChIKeyBLDHQFQBENKSQF-QGZVFWFLSA-N
MW287.41 g/mol
LogP5.20
Rot. Bonds5

About (1R)-1-phenyl-N-[(2-phenylphenyl)methyl]ethanamine

(1R)-1-phenyl-N-[(2-phenylphenyl)methyl]ethanamine (PubChem CID 15651974) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is (1R)-1-phenyl-N-[(2-phenylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-phenyl-N-[(2-phenylphenyl)methyl]ethanamine
PubChem CID15651974
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC Name(1R)-1-phenyl-N-[(2-phenylphenyl)methyl]ethanamine
SMILESC[C@@H](NCc1ccccc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21N/c1-17(18-10-4-2-5-11-18)22-16-20-14-8-9-15-21(20)19-12-6-3-7-13-19/h2-15,17,22H,16H2,1H3/t17-/m1/s1
InChIKeyBLDHQFQBENKSQF-QGZVFWFLSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.41
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-phenyl-N-[(2-phenylphenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-phenyl-N-[(2-phenylphenyl)methyl]ethanamine (CID 15651974) is (1R)-1-phenyl-N-[(2-phenylphenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-phenyl-N-[(2-phenylphenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-phenyl-N-[(2-phenylphenyl)methyl]ethanamine is C[C@@H](NCc1ccccc1-c1ccccc1)c1ccccc1.
What is the InChIKey of (1R)-1-phenyl-N-[(2-phenylphenyl)methyl]ethanamine?
The InChIKey is BLDHQFQBENKSQF-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H21N/c1-17(18-10-4-2-5-11-18)22-16-20-14-8-9-15-21(20)19-12-6-3-7-13-19/h2-15,17,22H,16H2,1H3/t17-/m1/s1.
What are the key properties of (1R)-1-phenyl-N-[(2-phenylphenyl)methyl]ethanamine?
(1R)-1-phenyl-N-[(2-phenylphenyl)methyl]ethanamine has a molecular weight of 287.41 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-phenyl-N-[(2-phenylphenyl)methyl]ethanamine is sourced from PubChem (CID 15651974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).