(1S,2S)-1,2-diphenylethane-1,2-diamine

C14H16N2 — CID 6931238

IUPAC(1S,2S)-1,2-diphenylethane-1,2-diamine
SMILESN[C@@H](c1ccccc1)[C@@H](N)c1ccccc1
InChIInChI=1S/C14H16N2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14H,15-16H2/t13-,14-/m0/s1
InChIKeyPONXTPCRRASWKW-KBPBESRZSA-N
MW212.30 g/mol
LogP2.39
Rot. Bonds3

About (1S,2S)-1,2-diphenylethane-1,2-diamine

(1S,2S)-1,2-diphenylethane-1,2-diamine (PubChem CID 6931238) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is (1S,2S)-1,2-diphenylethane-1,2-diamine.

Molecular Properties

Compound Name(1S,2S)-1,2-diphenylethane-1,2-diamine
PubChem CID6931238
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name(1S,2S)-1,2-diphenylethane-1,2-diamine
SMILESN[C@@H](c1ccccc1)[C@@H](N)c1ccccc1
InChIInChI=1S/C14H16N2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14H,15-16H2/t13-,14-/m0/s1
InChIKeyPONXTPCRRASWKW-KBPBESRZSA-N
XLogP2.39
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1,2-diphenylethane-1,2-diamine?
The IUPAC name of (1S,2S)-1,2-diphenylethane-1,2-diamine (CID 6931238) is (1S,2S)-1,2-diphenylethane-1,2-diamine.
What is the SMILES notation for (1S,2S)-1,2-diphenylethane-1,2-diamine?
The canonical SMILES for (1S,2S)-1,2-diphenylethane-1,2-diamine is N[C@@H](c1ccccc1)[C@@H](N)c1ccccc1.
What is the InChIKey of (1S,2S)-1,2-diphenylethane-1,2-diamine?
The InChIKey is PONXTPCRRASWKW-KBPBESRZSA-N. The full InChI is InChI=1S/C14H16N2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14H,15-16H2/t13-,14-/m0/s1.
What are the key properties of (1S,2S)-1,2-diphenylethane-1,2-diamine?
(1S,2S)-1,2-diphenylethane-1,2-diamine has a molecular weight of 212.30 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1,2-diphenylethane-1,2-diamine is sourced from PubChem (CID 6931238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).