N'-[3-[(E)-2-phenylethenyl]phenyl]ethane-1,2-diamine

C16H18N2 — CID 89340469

IUPACN'-[3-[(E)-2-phenylethenyl]phenyl]ethane-1,2-diamine
SMILESNCCNc1cccc(/C=C/c2ccccc2)c1
InChIInChI=1S/C16H18N2/c17-11-12-18-16-8-4-7-15(13-16)10-9-14-5-2-1-3-6-14/h1-10,13,18H,11-12,17H2/b10-9+
InChIKeyHLSRCKUBRHZRDL-MDZDMXLPSA-N
MW238.33 g/mol
LogP3.23
Rot. Bonds5

About N'-[3-[(E)-2-phenylethenyl]phenyl]ethane-1,2-diamine

N'-[3-[(E)-2-phenylethenyl]phenyl]ethane-1,2-diamine (PubChem CID 89340469) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N'-[3-[(E)-2-phenylethenyl]phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-[(E)-2-phenylethenyl]phenyl]ethane-1,2-diamine
PubChem CID89340469
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC NameN'-[3-[(E)-2-phenylethenyl]phenyl]ethane-1,2-diamine
SMILESNCCNc1cccc(/C=C/c2ccccc2)c1
InChIInChI=1S/C16H18N2/c17-11-12-18-16-8-4-7-15(13-16)10-9-14-5-2-1-3-6-14/h1-10,13,18H,11-12,17H2/b10-9+
InChIKeyHLSRCKUBRHZRDL-MDZDMXLPSA-N
XLogP3.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.23
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

ethane;N'-phenylethane-1,2-diamine
CID 91048519
3-(2-fluoroethylamino)benzaldehyde
CID 84652613
N'-(3-chlorophenyl)ethane-1,2-diamine
CID 11008376
molecular hydrogen;N'-phenylethane-1,2-diamine;propane
CID 143734576
(E)-3-[3-(2-hydroxyethylamino)phenyl]prop-2-enoic acid
CID 143268431
N'-(4-phenylphenyl)ethane-1,2-diamine
CID 15319687
3-N-(2-aminoethyl)-1-N-(3-methylbutyl)benzene-1,3-diamine
CID 170004129
3-[3-[(E)-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]anilino]propanoic acid
CID 14051189
N,N'-bis(3-phenylphenyl)propane-1,3-diamine
CID 22968041
[3-[3-(2-aminoethylamino)phenyl]phenyl]methanol
CID 71173377
3-[(E)-4-aminobut-1-enyl]-N-methylaniline
CID 21184900
3-(4-aminobut-1-enyl)-N-methylaniline
CID 57197878

Frequently Asked Questions

What is the IUPAC name of N'-[3-[(E)-2-phenylethenyl]phenyl]ethane-1,2-diamine?
The IUPAC name of N'-[3-[(E)-2-phenylethenyl]phenyl]ethane-1,2-diamine (CID 89340469) is N'-[3-[(E)-2-phenylethenyl]phenyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[3-[(E)-2-phenylethenyl]phenyl]ethane-1,2-diamine?
The canonical SMILES for N'-[3-[(E)-2-phenylethenyl]phenyl]ethane-1,2-diamine is NCCNc1cccc(/C=C/c2ccccc2)c1.
What is the InChIKey of N'-[3-[(E)-2-phenylethenyl]phenyl]ethane-1,2-diamine?
The InChIKey is HLSRCKUBRHZRDL-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H18N2/c17-11-12-18-16-8-4-7-15(13-16)10-9-14-5-2-1-3-6-14/h1-10,13,18H,11-12,17H2/b10-9+.
What are the key properties of N'-[3-[(E)-2-phenylethenyl]phenyl]ethane-1,2-diamine?
N'-[3-[(E)-2-phenylethenyl]phenyl]ethane-1,2-diamine has a molecular weight of 238.33 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[(E)-2-phenylethenyl]phenyl]ethane-1,2-diamine is sourced from PubChem (CID 89340469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).