1,2,3-triphenylpropane-1,3-diamine

C21H22N2 — CID 67052848

IUPAC1,2,3-triphenylpropane-1,3-diamine
SMILESNC(c1ccccc1)C(c1ccccc1)C(N)c1ccccc1
InChIInChI=1S/C21H22N2/c22-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21(23)18-14-8-3-9-15-18/h1-15,19-21H,22-23H2
InChIKeyOFVJZSWSASCDJV-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.17
Rot. Bonds5

About 1,2,3-triphenylpropane-1,3-diamine

1,2,3-triphenylpropane-1,3-diamine (PubChem CID 67052848) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1,2,3-triphenylpropane-1,3-diamine.

Molecular Properties

Compound Name1,2,3-triphenylpropane-1,3-diamine
PubChem CID67052848
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC Name1,2,3-triphenylpropane-1,3-diamine
SMILESNC(c1ccccc1)C(c1ccccc1)C(N)c1ccccc1
InChIInChI=1S/C21H22N2/c22-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21(23)18-14-8-3-9-15-18/h1-15,19-21H,22-23H2
InChIKeyOFVJZSWSASCDJV-UHFFFAOYSA-N
XLogP4.17
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R)-2-fluoro-1,2-diphenylethanamine
CID 12617058
(1S,2R)-2-amino-1,2-diphenylethanol
CID 719822
(1R,2S)-2-(15N)azanyl-1,2-diphenylethanol
CID 11745978
(1,3-difluoro-1,3-diphenylpropan-2-yl)benzene
CID 101190524
(1R,2R)-2-amino-1,2-diphenylethanol;hydrochloride
CID 145453159
2-hydrazinyl-1,2-diphenylethanamine
CID 143003712
(1S,2R)-1-phenylbutane-1,2-diamine
CID 10702186
2-N,2-N-diethyl-1-phenylpropane-1,2-diamine
CID 16784984
N'-methyl-1,2-diphenyl-N'-propan-2-ylethane-1,2-diamine
CID 43211370
(1R,2R)-2-N-methyl-1-phenylpropane-1,2-diamine
CID 59302389
(1S,2S)-2-N-methyl-1-phenylpropane-1,2-diamine
CID 6711442
(1R,2R)-3,3-dimethyl-1-phenylbutane-1,2-diamine;dihydrochloride
CID 53487564

Frequently Asked Questions

What is the IUPAC name of 1,2,3-triphenylpropane-1,3-diamine?
The IUPAC name of 1,2,3-triphenylpropane-1,3-diamine (CID 67052848) is 1,2,3-triphenylpropane-1,3-diamine.
What is the SMILES notation for 1,2,3-triphenylpropane-1,3-diamine?
The canonical SMILES for 1,2,3-triphenylpropane-1,3-diamine is NC(c1ccccc1)C(c1ccccc1)C(N)c1ccccc1.
What is the InChIKey of 1,2,3-triphenylpropane-1,3-diamine?
The InChIKey is OFVJZSWSASCDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2/c22-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21(23)18-14-8-3-9-15-18/h1-15,19-21H,22-23H2.
What are the key properties of 1,2,3-triphenylpropane-1,3-diamine?
1,2,3-triphenylpropane-1,3-diamine has a molecular weight of 302.42 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-triphenylpropane-1,3-diamine is sourced from PubChem (CID 67052848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).