(2S)-1,4-diphenylbut-3-en-2-amine

C16H17N — CID 123901832

IUPAC(2S)-1,4-diphenylbut-3-en-2-amine
SMILESN[C@H](C=Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H17N/c17-16(13-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-12,16H,13,17H2/t16-/m1/s1
InChIKeyJXVUEVNIKJJONX-MRXNPFEDSA-N
MW223.32 g/mol
LogP3.27
Rot. Bonds4

About (2S)-1,4-diphenylbut-3-en-2-amine

(2S)-1,4-diphenylbut-3-en-2-amine (PubChem CID 123901832) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is (2S)-1,4-diphenylbut-3-en-2-amine.

Molecular Properties

Compound Name(2S)-1,4-diphenylbut-3-en-2-amine
PubChem CID123901832
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name(2S)-1,4-diphenylbut-3-en-2-amine
SMILESN[C@H](C=Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H17N/c17-16(13-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-12,16H,13,17H2/t16-/m1/s1
InChIKeyJXVUEVNIKJJONX-MRXNPFEDSA-N
XLogP3.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-diphenylbut-3-en-2-amine
CID 77474481
1,12-diphenyldodeca-3,9-diene-2,11-diamine
CID 78292163
[(E)-3-benzyl-4,4-difluorobut-1-enyl]benzene
CID 132509962
(1E)-1-phenylhepta-1,6-dien-3-amine
CID 11542895
(E)-3-amino-4-phenylbut-1-ene-1-sulfinic acid
CID 143275368
(2S,3E)-6-methyl-1-phenylhepta-3,5-dien-2-amine
CID 10679593
methyl (Z)-2-benzyl-4-phenylbut-3-enoate
CID 102009191
(2R)-4-methylsulfonyl-1-phenylbut-3-en-2-amine;hydrochloride
CID 171320191
ethyl (E,2R,3S)-2-benzyl-3-methyl-5-phenylpent-4-enoate
CID 134973992
3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid
CID 6247145
(2R)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]propanoic acid
CID 92523935
2-phenylethane-1,1-diamine;dihydrochloride
CID 90190453

Frequently Asked Questions

What is the IUPAC name of (2S)-1,4-diphenylbut-3-en-2-amine?
The IUPAC name of (2S)-1,4-diphenylbut-3-en-2-amine (CID 123901832) is (2S)-1,4-diphenylbut-3-en-2-amine.
What is the SMILES notation for (2S)-1,4-diphenylbut-3-en-2-amine?
The canonical SMILES for (2S)-1,4-diphenylbut-3-en-2-amine is N[C@H](C=Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-1,4-diphenylbut-3-en-2-amine?
The InChIKey is JXVUEVNIKJJONX-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H17N/c17-16(13-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-12,16H,13,17H2/t16-/m1/s1.
What are the key properties of (2S)-1,4-diphenylbut-3-en-2-amine?
(2S)-1,4-diphenylbut-3-en-2-amine has a molecular weight of 223.32 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,4-diphenylbut-3-en-2-amine is sourced from PubChem (CID 123901832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).