1-[4-(2-phenylethenyl)anilino]butan-2-ol

C18H21NO — CID 54437756

IUPAC1-[4-(2-phenylethenyl)anilino]butan-2-ol
SMILESCCC(O)CNc1ccc(C=Cc2ccccc2)cc1
InChIInChI=1S/C18H21NO/c1-2-18(20)14-19-17-12-10-16(11-13-17)9-8-15-6-4-3-5-7-15/h3-13,18-20H,2,14H2,1H3
InChIKeyWLXNECXSPLUSMS-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.04
Rot. Bonds6

About 1-[4-(2-phenylethenyl)anilino]butan-2-ol

1-[4-(2-phenylethenyl)anilino]butan-2-ol (PubChem CID 54437756) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[4-(2-phenylethenyl)anilino]butan-2-ol.

Molecular Properties

Compound Name1-[4-(2-phenylethenyl)anilino]butan-2-ol
PubChem CID54437756
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-[4-(2-phenylethenyl)anilino]butan-2-ol
SMILESCCC(O)CNc1ccc(C=Cc2ccccc2)cc1
InChIInChI=1S/C18H21NO/c1-2-18(20)14-19-17-12-10-16(11-13-17)9-8-15-6-4-3-5-7-15/h3-13,18-20H,2,14H2,1H3
InChIKeyWLXNECXSPLUSMS-UHFFFAOYSA-N
XLogP4.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tris((E)-N-[(2R)-2-hydroxybutyl]-3-phenylprop-2-enamide);hydrate
CID 139062706
(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561
1-[4-[(4-aminophenyl)methyl]anilino]butan-2-ol
CID 54013860
1-anilino-3-chloropropan-2-ol
CID 3640254
1-anilinoheptan-2-ol
CID 114998464
1-anilino-2-methylpentan-3-ol
CID 69294698
1-chloro-3-[4-(4-phenylphenyl)anilino]propan-2-ol
CID 168636829
1-(1-phenylpropylamino)butan-2-ol
CID 62305218
(2S)-1-(3-bromoanilino)butan-2-ol
CID 93345591
1-(3,5-difluoroanilino)butan-2-ol
CID 60885411
1-(3-bromo-4-iodoanilino)butan-2-ol
CID 130499884
1-anilino-3-propan-2-yloxypropan-2-ol
CID 2880916

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-phenylethenyl)anilino]butan-2-ol?
The IUPAC name of 1-[4-(2-phenylethenyl)anilino]butan-2-ol (CID 54437756) is 1-[4-(2-phenylethenyl)anilino]butan-2-ol.
What is the SMILES notation for 1-[4-(2-phenylethenyl)anilino]butan-2-ol?
The canonical SMILES for 1-[4-(2-phenylethenyl)anilino]butan-2-ol is CCC(O)CNc1ccc(C=Cc2ccccc2)cc1.
What is the InChIKey of 1-[4-(2-phenylethenyl)anilino]butan-2-ol?
The InChIKey is WLXNECXSPLUSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-18(20)14-19-17-12-10-16(11-13-17)9-8-15-6-4-3-5-7-15/h3-13,18-20H,2,14H2,1H3.
What are the key properties of 1-[4-(2-phenylethenyl)anilino]butan-2-ol?
1-[4-(2-phenylethenyl)anilino]butan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-phenylethenyl)anilino]butan-2-ol is sourced from PubChem (CID 54437756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).