N-benzyl-1-phenylethanamine

C15H17N — CID 519427

IUPACN-benzyl-1-phenylethanamine
SMILESCC(NCc1ccccc1)c1ccccc1
InChIInChI=1S/C15H17N/c1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3
InChIKeyZYZHMSJNPCYUTB-UHFFFAOYSA-N
MW211.31 g/mol
LogP3.54
Rot. Bonds4

About N-benzyl-1-phenylethanamine

N-benzyl-1-phenylethanamine (PubChem CID 519427) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is N-benzyl-1-phenylethanamine.

Molecular Properties

Compound NameN-benzyl-1-phenylethanamine
PubChem CID519427
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC NameN-benzyl-1-phenylethanamine
SMILESCC(NCc1ccccc1)c1ccccc1
InChIInChI=1S/C15H17N/c1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3
InChIKeyZYZHMSJNPCYUTB-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-phenylethanamine?
The IUPAC name of N-benzyl-1-phenylethanamine (CID 519427) is N-benzyl-1-phenylethanamine.
What is the SMILES notation for N-benzyl-1-phenylethanamine?
The canonical SMILES for N-benzyl-1-phenylethanamine is CC(NCc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-1-phenylethanamine?
The InChIKey is ZYZHMSJNPCYUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3.
What are the key properties of N-benzyl-1-phenylethanamine?
N-benzyl-1-phenylethanamine has a molecular weight of 211.31 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-phenylethanamine is sourced from PubChem (CID 519427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).