(1S)-1,2-diphenylethanamine

C14H15N — CID 1383071

IUPAC(1S)-1,2-diphenylethanamine
SMILESN[C@@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C14H15N/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11,15H2/t14-/m0/s1
InChIKeyDTGGNTMERRTPLR-AWEZNQCLSA-N
MW197.28 g/mol
LogP2.93
Rot. Bonds3

About (1S)-1,2-diphenylethanamine

(1S)-1,2-diphenylethanamine (PubChem CID 1383071) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is (1S)-1,2-diphenylethanamine.

Molecular Properties

Compound Name(1S)-1,2-diphenylethanamine
PubChem CID1383071
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Name(1S)-1,2-diphenylethanamine
SMILESN[C@@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C14H15N/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11,15H2/t14-/m0/s1
InChIKeyDTGGNTMERRTPLR-AWEZNQCLSA-N
XLogP2.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-1,2-diphenylethanamine?
The IUPAC name of (1S)-1,2-diphenylethanamine (CID 1383071) is (1S)-1,2-diphenylethanamine.
What is the SMILES notation for (1S)-1,2-diphenylethanamine?
The canonical SMILES for (1S)-1,2-diphenylethanamine is N[C@@H](Cc1ccccc1)c1ccccc1.
What is the InChIKey of (1S)-1,2-diphenylethanamine?
The InChIKey is DTGGNTMERRTPLR-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H15N/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11,15H2/t14-/m0/s1.
What are the key properties of (1S)-1,2-diphenylethanamine?
(1S)-1,2-diphenylethanamine has a molecular weight of 197.28 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1,2-diphenylethanamine is sourced from PubChem (CID 1383071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).