2-phenylbut-3-en-1-amine;hydrochloride

C10H14ClN — CID 23037991

IUPAC2-phenylbut-3-en-1-amine;hydrochloride
SMILESC=CC(CN)c1ccccc1.Cl
InChIInChI=1S/C10H13N.ClH/c1-2-9(8-11)10-6-4-3-5-7-10;/h2-7,9H,1,8,11H2;1H
InChIKeyPUZKIWKBFYUVKA-UHFFFAOYSA-N
MW183.68 g/mol
LogP2.34
Rot. Bonds3

About 2-phenylbut-3-en-1-amine;hydrochloride

2-phenylbut-3-en-1-amine;hydrochloride (PubChem CID 23037991) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 2-phenylbut-3-en-1-amine;hydrochloride.

Molecular Properties

Compound Name2-phenylbut-3-en-1-amine;hydrochloride
PubChem CID23037991
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name2-phenylbut-3-en-1-amine;hydrochloride
SMILESC=CC(CN)c1ccccc1.Cl
InChIInChI=1S/C10H13N.ClH/c1-2-9(8-11)10-6-4-3-5-7-10;/h2-7,9H,1,8,11H2;1H
InChIKeyPUZKIWKBFYUVKA-UHFFFAOYSA-N
XLogP2.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 52.34
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

5-phenylhepta-1,6-dien-3-amine
CID 21390037
(2S)-2-benzhydrylbut-3-en-1-amine
CID 130410614
(E)-2-phenylpent-3-en-1-amine
CID 131236812
3-phenylpent-4-enenitrile
CID 14767512
[(3R)-3-phenylpent-4-enyl]benzene
CID 134979381
triphenyl(2-phenylbut-3-enyl)stannane
CID 67812779
(3S)-3-phenylpent-4-enoic acid
CID 92981953
(3S)-N-methyl-3-phenylpent-4-en-1-amine
CID 143676843
2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine;hydrochloride
CID 23620363
2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine
CID 23620364
4-phenylhex-5-enoate
CID 140706037
[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene
CID 12573330

Frequently Asked Questions

What is the IUPAC name of 2-phenylbut-3-en-1-amine;hydrochloride?
The IUPAC name of 2-phenylbut-3-en-1-amine;hydrochloride (CID 23037991) is 2-phenylbut-3-en-1-amine;hydrochloride.
What is the SMILES notation for 2-phenylbut-3-en-1-amine;hydrochloride?
The canonical SMILES for 2-phenylbut-3-en-1-amine;hydrochloride is C=CC(CN)c1ccccc1.Cl.
What is the InChIKey of 2-phenylbut-3-en-1-amine;hydrochloride?
The InChIKey is PUZKIWKBFYUVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.ClH/c1-2-9(8-11)10-6-4-3-5-7-10;/h2-7,9H,1,8,11H2;1H.
What are the key properties of 2-phenylbut-3-en-1-amine;hydrochloride?
2-phenylbut-3-en-1-amine;hydrochloride has a molecular weight of 183.68 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylbut-3-en-1-amine;hydrochloride is sourced from PubChem (CID 23037991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).