3-(2-phenylethenyl)benzene-1,2-diamine;propan-1-ol

C17H22N2O — CID 174558761

IUPAC3-(2-phenylethenyl)benzene-1,2-diamine;propan-1-ol
SMILESCCCO.Nc1cccc(C=Cc2ccccc2)c1N
InChIInChI=1S/C14H14N2.C3H8O/c15-13-8-4-7-12(14(13)16)10-9-11-5-2-1-3-6-11;1-2-3-4/h1-10H,15-16H2;4H,2-3H2,1H3
InChIKeyWXUUGFQXVWOXNE-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.41
Rot. Bonds3

About 3-(2-phenylethenyl)benzene-1,2-diamine;propan-1-ol

3-(2-phenylethenyl)benzene-1,2-diamine;propan-1-ol (PubChem CID 174558761) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-(2-phenylethenyl)benzene-1,2-diamine;propan-1-ol.

Molecular Properties

Compound Name3-(2-phenylethenyl)benzene-1,2-diamine;propan-1-ol
PubChem CID174558761
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-(2-phenylethenyl)benzene-1,2-diamine;propan-1-ol
SMILESCCCO.Nc1cccc(C=Cc2ccccc2)c1N
InChIInChI=1S/C14H14N2.C3H8O/c15-13-8-4-7-12(14(13)16)10-9-11-5-2-1-3-6-11;1-2-3-4/h1-10H,15-16H2;4H,2-3H2,1H3
InChIKeyWXUUGFQXVWOXNE-UHFFFAOYSA-N
XLogP3.41
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-phenylethenyl)benzene-1,2-diamine;propane-1-thiol
CID 161183014
3-[(E)-2-(2,3-diaminophenyl)ethenyl]benzene-1,2-diamine
CID 70561484
2,3-bis[(E)-2-phenylethenyl]aniline
CID 22251468
2,3-diethyl-6-(2-phenylethenyl)aniline
CID 70441795
pentan-1-ol;(E)-stilbene
CID 172553874
2-[2-(2-phenylethenyl)phenoxy]ethanol
CID 70576558
3-(2,3-diaminophenyl)prop-2-enoic acid
CID 169460294
3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-ol
CID 21078223
1-ethyl-2-[(Z)-2-phenylethenyl]benzene
CID 142017215
2-[2,3-bis[(E)-2-phenylethenyl]phenoxy]ethanol
CID 162493938
2-nitro-3-(2-phenylethenyl)aniline
CID 67709956
bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethenyl)benzene-1,2-diamine;propan-1-ol?
The IUPAC name of 3-(2-phenylethenyl)benzene-1,2-diamine;propan-1-ol (CID 174558761) is 3-(2-phenylethenyl)benzene-1,2-diamine;propan-1-ol.
What is the SMILES notation for 3-(2-phenylethenyl)benzene-1,2-diamine;propan-1-ol?
The canonical SMILES for 3-(2-phenylethenyl)benzene-1,2-diamine;propan-1-ol is CCCO.Nc1cccc(C=Cc2ccccc2)c1N.
What is the InChIKey of 3-(2-phenylethenyl)benzene-1,2-diamine;propan-1-ol?
The InChIKey is WXUUGFQXVWOXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2.C3H8O/c15-13-8-4-7-12(14(13)16)10-9-11-5-2-1-3-6-11;1-2-3-4/h1-10H,15-16H2;4H,2-3H2,1H3.
What are the key properties of 3-(2-phenylethenyl)benzene-1,2-diamine;propan-1-ol?
3-(2-phenylethenyl)benzene-1,2-diamine;propan-1-ol has a molecular weight of 270.38 g/mol, XLogP of 3.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethenyl)benzene-1,2-diamine;propan-1-ol is sourced from PubChem (CID 174558761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).