(E)-3-phenylbut-1-en-1-amine

C10H13N — CID 22024726

IUPAC(E)-3-phenylbut-1-en-1-amine
SMILESCC(/C=C/N)c1ccccc1
InChIInChI=1S/C10H13N/c1-9(7-8-11)10-5-3-2-4-6-10/h2-9H,11H2,1H3/b8-7+
InChIKeySAKCYHYRCPIYEU-BQYQJAHWSA-N
MW147.22 g/mol
LogP2.26
Rot. Bonds2

About (E)-3-phenylbut-1-en-1-amine

(E)-3-phenylbut-1-en-1-amine (PubChem CID 22024726) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is (E)-3-phenylbut-1-en-1-amine.

Molecular Properties

Compound Name(E)-3-phenylbut-1-en-1-amine
PubChem CID22024726
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name(E)-3-phenylbut-1-en-1-amine
SMILESCC(/C=C/N)c1ccccc1
InChIInChI=1S/C10H13N/c1-9(7-8-11)10-5-3-2-4-6-10/h2-9H,11H2,1H3/b8-7+
InChIKeySAKCYHYRCPIYEU-BQYQJAHWSA-N
XLogP2.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(Z)-pent-3-en-2-yl]benzene
CID 12697650
[(Z)-4-methoxybut-3-en-2-yl]benzene
CID 10558945
[(E)-5,5-di(propan-2-yloxy)pent-3-en-2-yl]benzene
CID 21423450
(Z)-4-phenylpent-2-en-1-ol
CID 10725679
5-chloropent-3-en-2-ylbenzene
CID 71345200
2-phenylpropaneselenal
CID 141365712
4-phenylpent-2-enylbenzene
CID 72731182
(E,5S)-5-phenylhex-3-en-1-ol
CID 162402402
1-[(E,3S)-3-phenylbut-1-enyl]-4-propan-2-ylbenzene
CID 11288169
trimethyl-[(E)-4-phenylpent-2-enyl]silane
CID 10889393
1-bromo-4-(3-phenylbut-1-enyl)benzene
CID 162347455
1-fluoro-4-[(E,3R)-3-phenylbut-1-enyl]benzene
CID 177383855

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenylbut-1-en-1-amine?
The IUPAC name of (E)-3-phenylbut-1-en-1-amine (CID 22024726) is (E)-3-phenylbut-1-en-1-amine.
What is the SMILES notation for (E)-3-phenylbut-1-en-1-amine?
The canonical SMILES for (E)-3-phenylbut-1-en-1-amine is CC(/C=C/N)c1ccccc1.
What is the InChIKey of (E)-3-phenylbut-1-en-1-amine?
The InChIKey is SAKCYHYRCPIYEU-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H13N/c1-9(7-8-11)10-5-3-2-4-6-10/h2-9H,11H2,1H3/b8-7+.
What are the key properties of (E)-3-phenylbut-1-en-1-amine?
(E)-3-phenylbut-1-en-1-amine has a molecular weight of 147.22 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenylbut-1-en-1-amine is sourced from PubChem (CID 22024726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).