(1S)-N,N-dimethyl-1,2-diphenylethanamine

C16H19N — CID 6321252

IUPAC(1S)-N,N-dimethyl-1,2-diphenylethanamine
SMILESCN(C)[C@@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H19N/c1-17(2)16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12,16H,13H2,1-2H3/t16-/m0/s1
InChIKeyYEJZJVJJPVZXGX-INIZCTEOSA-N
MW225.34 g/mol
LogP3.53
Rot. Bonds4

About (1S)-N,N-dimethyl-1,2-diphenylethanamine

(1S)-N,N-dimethyl-1,2-diphenylethanamine (PubChem CID 6321252) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is (1S)-N,N-dimethyl-1,2-diphenylethanamine.

Molecular Properties

Compound Name(1S)-N,N-dimethyl-1,2-diphenylethanamine
PubChem CID6321252
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name(1S)-N,N-dimethyl-1,2-diphenylethanamine
SMILESCN(C)[C@@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H19N/c1-17(2)16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12,16H,13H2,1-2H3/t16-/m0/s1
InChIKeyYEJZJVJJPVZXGX-INIZCTEOSA-N
XLogP3.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-N,N-dimethyl-1,2-diphenylethanamine?
The IUPAC name of (1S)-N,N-dimethyl-1,2-diphenylethanamine (CID 6321252) is (1S)-N,N-dimethyl-1,2-diphenylethanamine.
What is the SMILES notation for (1S)-N,N-dimethyl-1,2-diphenylethanamine?
The canonical SMILES for (1S)-N,N-dimethyl-1,2-diphenylethanamine is CN(C)[C@@H](Cc1ccccc1)c1ccccc1.
What is the InChIKey of (1S)-N,N-dimethyl-1,2-diphenylethanamine?
The InChIKey is YEJZJVJJPVZXGX-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19N/c1-17(2)16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12,16H,13H2,1-2H3/t16-/m0/s1.
What are the key properties of (1S)-N,N-dimethyl-1,2-diphenylethanamine?
(1S)-N,N-dimethyl-1,2-diphenylethanamine has a molecular weight of 225.34 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N,N-dimethyl-1,2-diphenylethanamine is sourced from PubChem (CID 6321252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).