1-phenylbut-2-en-2-amine

C10H13N — CID 68995045

IUPAC1-phenylbut-2-en-2-amine
SMILESCC=C(N)Cc1ccccc1
InChIInChI=1S/C10H13N/c1-2-10(11)8-9-6-4-3-5-7-9/h2-7H,8,11H2,1H3
InChIKeyXFRODUWUDCOEIE-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.09
Rot. Bonds2

About 1-phenylbut-2-en-2-amine

1-phenylbut-2-en-2-amine (PubChem CID 68995045) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 1-phenylbut-2-en-2-amine.

Molecular Properties

Compound Name1-phenylbut-2-en-2-amine
PubChem CID68995045
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name1-phenylbut-2-en-2-amine
SMILESCC=C(N)Cc1ccccc1
InChIInChI=1S/C10H13N/c1-2-10(11)8-9-6-4-3-5-7-9/h2-7H,8,11H2,1H3
InChIKeyXFRODUWUDCOEIE-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2Z,4E,6Z)-1,8-diphenylocta-2,4,6-triene-2,7-diamine
CID 14933759
(E)-1-phenylbut-2-en-2-ol
CID 170790149
1,4-diphenylbut-2-ene-2,3-diamine
CID 67744417
[(Z)-2-methylbut-2-enyl]benzene
CID 59870366
(2Z,4Z)-1-(4-phenylphenyl)hexa-2,4-dien-2-amine
CID 145299472
[(E)-1-phenylbut-2-en-2-yl]benzene
CID 6152777
2-benzyl-3-phenylprop-1-ene-1,1-diamine
CID 23499817
acetic acid;2-oxo-3-phenylpropanamide
CID 143555968
(E)-3-benzylpent-3-en-2-one
CID 10821122
N'-hydroxy-2-phenylethanimidamide
CID 6074309
(E)-1-(3-phenylphenyl)pent-2-en-2-amine
CID 142087219
2-[(Z)-1-phenylpropan-2-ylideneamino]guanidine
CID 5493424

Frequently Asked Questions

What is the IUPAC name of 1-phenylbut-2-en-2-amine?
The IUPAC name of 1-phenylbut-2-en-2-amine (CID 68995045) is 1-phenylbut-2-en-2-amine.
What is the SMILES notation for 1-phenylbut-2-en-2-amine?
The canonical SMILES for 1-phenylbut-2-en-2-amine is CC=C(N)Cc1ccccc1.
What is the InChIKey of 1-phenylbut-2-en-2-amine?
The InChIKey is XFRODUWUDCOEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-2-10(11)8-9-6-4-3-5-7-9/h2-7H,8,11H2,1H3.
What are the key properties of 1-phenylbut-2-en-2-amine?
1-phenylbut-2-en-2-amine has a molecular weight of 147.22 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylbut-2-en-2-amine is sourced from PubChem (CID 68995045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).