2-phenylethanol;4-(2-phenylethenyl)benzene-1,3-diamine

C22H24N2O — CID 159406266

IUPAC2-phenylethanol;4-(2-phenylethenyl)benzene-1,3-diamine
SMILESNc1ccc(C=Cc2ccccc2)c(N)c1.OCCc1ccccc1
InChIInChI=1S/C14H14N2.C8H10O/c15-13-9-8-12(14(16)10-13)7-6-11-4-2-1-3-5-11;9-7-6-8-4-2-1-3-5-8/h1-10H,15-16H2;1-5,9H,6-7H2
InChIKeyLNZLDMYMWMDMCB-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.24
Rot. Bonds4

About 2-phenylethanol;4-(2-phenylethenyl)benzene-1,3-diamine

2-phenylethanol;4-(2-phenylethenyl)benzene-1,3-diamine (PubChem CID 159406266) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-phenylethanol;4-(2-phenylethenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name2-phenylethanol;4-(2-phenylethenyl)benzene-1,3-diamine
PubChem CID159406266
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name2-phenylethanol;4-(2-phenylethenyl)benzene-1,3-diamine
SMILESNc1ccc(C=Cc2ccccc2)c(N)c1.OCCc1ccccc1
InChIInChI=1S/C14H14N2.C8H10O/c15-13-9-8-12(14(16)10-13)7-6-11-4-2-1-3-5-11;9-7-6-8-4-2-1-3-5-8/h1-10H,15-16H2;1-5,9H,6-7H2
InChIKeyLNZLDMYMWMDMCB-UHFFFAOYSA-N
XLogP4.24
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.24
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

benzyl (E)-3-(2,4-diaminophenyl)prop-2-enoate
CID 174674557
3-amino-N-hydroxy-4-(2-phenylethenyl)benzeneamine oxide
CID 163169855
4-(2-phenylethenyl)aniline
CID 13265
4-(2-phenylethyl)benzene-1,3-diamine;dihydrochloride
CID 68567088
3-(2-phenylethenyl)benzene-1,2-diamine;propan-1-ol
CID 174558761
formaldehyde;2-phenylethanol
CID 143785167
2-[3-(5-phenylpent-1-enyl)phenyl]ethanol
CID 54163257
4-amino-2-(2-phenylethyl)benzoic acid
CID 66690543
2-(2,5-diaminophenyl)ethanol
CID 160672831
N-[3-amino-4-(2-phenylethenyl)phenyl]prop-2-enamide
CID 154139175
2-[(E)-2-phenylethenyl]quinolin-6-amine
CID 18506496
2-(2-phenylethenyl)quinolin-6-amine
CID 54111985

Frequently Asked Questions

What is the IUPAC name of 2-phenylethanol;4-(2-phenylethenyl)benzene-1,3-diamine?
The IUPAC name of 2-phenylethanol;4-(2-phenylethenyl)benzene-1,3-diamine (CID 159406266) is 2-phenylethanol;4-(2-phenylethenyl)benzene-1,3-diamine.
What is the SMILES notation for 2-phenylethanol;4-(2-phenylethenyl)benzene-1,3-diamine?
The canonical SMILES for 2-phenylethanol;4-(2-phenylethenyl)benzene-1,3-diamine is Nc1ccc(C=Cc2ccccc2)c(N)c1.OCCc1ccccc1.
What is the InChIKey of 2-phenylethanol;4-(2-phenylethenyl)benzene-1,3-diamine?
The InChIKey is LNZLDMYMWMDMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2.C8H10O/c15-13-9-8-12(14(16)10-13)7-6-11-4-2-1-3-5-11;9-7-6-8-4-2-1-3-5-8/h1-10H,15-16H2;1-5,9H,6-7H2.
What are the key properties of 2-phenylethanol;4-(2-phenylethenyl)benzene-1,3-diamine?
2-phenylethanol;4-(2-phenylethenyl)benzene-1,3-diamine has a molecular weight of 332.45 g/mol, XLogP of 4.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethanol;4-(2-phenylethenyl)benzene-1,3-diamine is sourced from PubChem (CID 159406266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).