N-(1,2-diphenylethyl)but-3-yn-2-amine

C18H19N — CID 114414977

IUPACN-(1,2-diphenylethyl)but-3-yn-2-amine
SMILESC#CC(C)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H19N/c1-3-15(2)19-18(17-12-8-5-9-13-17)14-16-10-6-4-7-11-16/h1,4-13,15,18-19H,14H2,2H3
InChIKeyQYBAQOGFBPATAX-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.58
Rot. Bonds5

About N-(1,2-diphenylethyl)but-3-yn-2-amine

N-(1,2-diphenylethyl)but-3-yn-2-amine (PubChem CID 114414977) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(1,2-diphenylethyl)but-3-yn-2-amine.

Molecular Properties

Compound NameN-(1,2-diphenylethyl)but-3-yn-2-amine
PubChem CID114414977
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC NameN-(1,2-diphenylethyl)but-3-yn-2-amine
SMILESC#CC(C)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H19N/c1-3-15(2)19-18(17-12-8-5-9-13-17)14-16-10-6-4-7-11-16/h1,4-13,15,18-19H,14H2,2H3
InChIKeyQYBAQOGFBPATAX-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(1,2-diphenylethylamino)propan-1-ol
CID 114986946
N-benzhydryl-1,2-diphenylethanamine
CID 101366117
N-[(1S)-1,2-diphenylethyl]hydroxylamine
CID 163358827
N-(1,2-diphenylethyl)hydroxylamine
CID 82685199
N-[(1R)-1,2-diphenylethyl]-2-methylpropan-1-amine
CID 40561608
1-[(1S)-1,2-diphenylethyl]-3-prop-2-ynylurea
CID 36512732
(2S)-2-phenyl-2-(1-phenylpropan-2-ylamino)ethanol
CID 107862161
N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
1-(2-chlorophenyl)-N'-(1,2-diphenylethyl)methanediamine
CID 163660607
1-(1,2-diphenylethylamino)-3-methylbutan-2-ol
CID 115720401
1-(1,2-diphenylethyl)-3-methylurea
CID 23548551
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041

Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylethyl)but-3-yn-2-amine?
The IUPAC name of N-(1,2-diphenylethyl)but-3-yn-2-amine (CID 114414977) is N-(1,2-diphenylethyl)but-3-yn-2-amine.
What is the SMILES notation for N-(1,2-diphenylethyl)but-3-yn-2-amine?
The canonical SMILES for N-(1,2-diphenylethyl)but-3-yn-2-amine is C#CC(C)NC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-(1,2-diphenylethyl)but-3-yn-2-amine?
The InChIKey is QYBAQOGFBPATAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-3-15(2)19-18(17-12-8-5-9-13-17)14-16-10-6-4-7-11-16/h1,4-13,15,18-19H,14H2,2H3.
What are the key properties of N-(1,2-diphenylethyl)but-3-yn-2-amine?
N-(1,2-diphenylethyl)but-3-yn-2-amine has a molecular weight of 249.36 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylethyl)but-3-yn-2-amine is sourced from PubChem (CID 114414977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).