2,3,3-triphenylpropan-1-amine

C21H21N — CID 11781172

IUPAC2,3,3-triphenylpropan-1-amine
SMILESNCC(c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21N/c22-16-20(17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20-21H,16,22H2
InChIKeyXKGCCPYCHHNFAB-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.56
Rot. Bonds5

About 2,3,3-triphenylpropan-1-amine

2,3,3-triphenylpropan-1-amine (PubChem CID 11781172) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is 2,3,3-triphenylpropan-1-amine.

Molecular Properties

Compound Name2,3,3-triphenylpropan-1-amine
PubChem CID11781172
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC Name2,3,3-triphenylpropan-1-amine
SMILESNCC(c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21N/c22-16-20(17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20-21H,16,22H2
InChIKeyXKGCCPYCHHNFAB-UHFFFAOYSA-N
XLogP4.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(2S)-1,1-diphenylbutan-2-yl]benzene
CID 101326862
2-benzhydryl-3,3-diphenylpropan-1-amine
CID 139723407
3,3-diphenylpropane-1,2-diamine;dihydrochloride
CID 141351446
2-phenylpentane-1,3-diamine
CID 57298875
3-phenyl-2-(4-propan-2-ylphenyl)butan-1-amine
CID 82140241
1-amino-4-ethyl-2-phenylhexan-3-ol
CID 65186056
(2S)-2-benzhydrylbut-3-en-1-amine
CID 130410614
3-amino-1-phenyl-2-pyridin-4-ylpropan-1-ol
CID 80525677
2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine
CID 23620364
2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine;hydrochloride
CID 23620363
2-(4-tert-butylphenyl)-3-phenylbutan-1-amine
CID 82140242
3-hexadecyl-2-phenylnonadecan-1-amine
CID 175285044

Frequently Asked Questions

What is the IUPAC name of 2,3,3-triphenylpropan-1-amine?
The IUPAC name of 2,3,3-triphenylpropan-1-amine (CID 11781172) is 2,3,3-triphenylpropan-1-amine.
What is the SMILES notation for 2,3,3-triphenylpropan-1-amine?
The canonical SMILES for 2,3,3-triphenylpropan-1-amine is NCC(c1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,3,3-triphenylpropan-1-amine?
The InChIKey is XKGCCPYCHHNFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N/c22-16-20(17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20-21H,16,22H2.
What are the key properties of 2,3,3-triphenylpropan-1-amine?
2,3,3-triphenylpropan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-triphenylpropan-1-amine is sourced from PubChem (CID 11781172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).