(2S)-2-benzhydrylbut-3-en-1-amine

C17H19N — CID 130410614

IUPAC(2S)-2-benzhydrylbut-3-en-1-amine
SMILESC=CC(CN)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19N/c1-2-14(13-18)17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12,14,17H,1,13,18H2
InChIKeyUZJBIMDHXHHVIV-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.58
Rot. Bonds5

About (2S)-2-benzhydrylbut-3-en-1-amine

(2S)-2-benzhydrylbut-3-en-1-amine (PubChem CID 130410614) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is (2S)-2-benzhydrylbut-3-en-1-amine.

Molecular Properties

Compound Name(2S)-2-benzhydrylbut-3-en-1-amine
PubChem CID130410614
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name(2S)-2-benzhydrylbut-3-en-1-amine
SMILESC=CC(CN)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19N/c1-2-14(13-18)17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12,14,17H,1,13,18H2
InChIKeyUZJBIMDHXHHVIV-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-phenylbut-3-en-1-amine;hydrochloride
CID 23037991
2-benzhydryl-3,3-diphenylpropan-1-amine
CID 139723407
2,3,3-triphenylpropan-1-amine
CID 11781172
1,1-diphenylbut-3-en-2-ol
CID 88826241
3,3-diphenylpropane-1,2-diamine;dihydrochloride
CID 141351446
2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine
CID 23620364
2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine;hydrochloride
CID 23620363
benzene;1-phenylprop-2-en-1-ol
CID 174884403
[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene
CID 12573330
penta-1,4-dien-3-ylbenzene
CID 15879286
1-(1-phenylprop-2-enyldiselanyl)prop-2-enylbenzene
CID 102511686
1-(1-phenylprop-2-enyldisulfanyl)prop-2-enylbenzene
CID 87154627

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzhydrylbut-3-en-1-amine?
The IUPAC name of (2S)-2-benzhydrylbut-3-en-1-amine (CID 130410614) is (2S)-2-benzhydrylbut-3-en-1-amine.
What is the SMILES notation for (2S)-2-benzhydrylbut-3-en-1-amine?
The canonical SMILES for (2S)-2-benzhydrylbut-3-en-1-amine is C=CC(CN)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-benzhydrylbut-3-en-1-amine?
The InChIKey is UZJBIMDHXHHVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-2-14(13-18)17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12,14,17H,1,13,18H2.
What are the key properties of (2S)-2-benzhydrylbut-3-en-1-amine?
(2S)-2-benzhydrylbut-3-en-1-amine has a molecular weight of 237.35 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 (2S)-2-benzhydrylbut-3-en-1-amine is sourced from PubChem (CID 130410614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).