2-(4-phenylphenyl)ethanamine;(4-phenylphenyl)methanamine

C27H28N2 — CID 160539387

IUPAC2-(4-phenylphenyl)ethanamine;(4-phenylphenyl)methanamine
SMILESNCCc1ccc(-c2ccccc2)cc1.NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H15N.C13H13N/c15-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13;14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10-11,15H2;1-9H,10,14H2
InChIKeyQWOSMPXNTLCQRB-UHFFFAOYSA-N
MW380.54 g/mol
LogP5.67
Rot. Bonds5

About 2-(4-phenylphenyl)ethanamine;(4-phenylphenyl)methanamine

2-(4-phenylphenyl)ethanamine;(4-phenylphenyl)methanamine (PubChem CID 160539387) has the molecular formula C27H28N2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 2-(4-phenylphenyl)ethanamine;(4-phenylphenyl)methanamine.

Molecular Properties

Compound Name2-(4-phenylphenyl)ethanamine;(4-phenylphenyl)methanamine
PubChem CID160539387
Molecular FormulaC27H28N2
Molecular Weight380.54 g/mol
Exact Mass380.23
IUPAC Name2-(4-phenylphenyl)ethanamine;(4-phenylphenyl)methanamine
SMILESNCCc1ccc(-c2ccccc2)cc1.NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H15N.C13H13N/c15-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13;14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10-11,15H2;1-9H,10,14H2
InChIKeyQWOSMPXNTLCQRB-UHFFFAOYSA-N
XLogP5.67
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.54
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)ethanamine;(4-phenylphenyl)methanamine?
The IUPAC name of 2-(4-phenylphenyl)ethanamine;(4-phenylphenyl)methanamine (CID 160539387) is 2-(4-phenylphenyl)ethanamine;(4-phenylphenyl)methanamine.
What is the SMILES notation for 2-(4-phenylphenyl)ethanamine;(4-phenylphenyl)methanamine?
The canonical SMILES for 2-(4-phenylphenyl)ethanamine;(4-phenylphenyl)methanamine is NCCc1ccc(-c2ccccc2)cc1.NCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(4-phenylphenyl)ethanamine;(4-phenylphenyl)methanamine?
The InChIKey is QWOSMPXNTLCQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.C13H13N/c15-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13;14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10-11,15H2;1-9H,10,14H2.
What are the key properties of 2-(4-phenylphenyl)ethanamine;(4-phenylphenyl)methanamine?
2-(4-phenylphenyl)ethanamine;(4-phenylphenyl)methanamine has a molecular weight of 380.54 g/mol, XLogP of 5.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)ethanamine;(4-phenylphenyl)methanamine is sourced from PubChem (CID 160539387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).