ethane;4-(1-phenylethenyl)benzene-1,2-diamine

C18H26N2 — CID 54049505

IUPACethane;4-(1-phenylethenyl)benzene-1,2-diamine
SMILESC=C(c1ccccc1)c1ccc(N)c(N)c1.CC.CC
InChIInChI=1S/C14H14N2.2C2H6/c1-10(11-5-3-2-4-6-11)12-7-8-13(15)14(16)9-12;2*1-2/h2-9H,1,15-16H2;2*1-2H3
InChIKeyLRXBRCIZRAKCKY-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.96
Rot. Bonds2

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

ethane;4-(1-phenylethenyl)benzene-1,2-diamine (PubChem CID 54049505) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is ethane;4-(1-phenylethenyl)benzene-1,2-diamine.

Molecular Properties

Compound Nameethane;4-(1-phenylethenyl)benzene-1,2-diamine
PubChem CID54049505
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Nameethane;4-(1-phenylethenyl)benzene-1,2-diamine
SMILESC=C(c1ccccc1)c1ccc(N)c(N)c1.CC.CC
InChIInChI=1S/C14H14N2.2C2H6/c1-10(11-5-3-2-4-6-11)12-7-8-13(15)14(16)9-12;2*1-2/h2-9H,1,15-16H2;2*1-2H3
InChIKeyLRXBRCIZRAKCKY-UHFFFAOYSA-N
XLogP4.96
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenylethenylbenzene;hydrochloride
CID 70400725
potassium 1-phenylethenylbenzene
CID 19358731
4-fluoro-2-[4-(1-phenylethenyl)phenyl]aniline
CID 142435968
mercury(1+);1-phenylethenylbenzene;chloride
CID 171374959
1-methoxy-3-(1-phenylethenyl)benzene
CID 15680509
aniline;ethane;2-methylprop-1-ene
CID 123218647
phenol;1-phenylethenylbenzene
CID 174309625
2-chloro-1-methoxy-4-(1-phenylethenyl)benzene
CID 71342253
phenyl 3,4-diaminobenzoate
CID 22184045
diphenyl-[3-(1-phenylethenyl)phenyl]methanamine
CID 90407178
6-[4-(1-phenylethenyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 57107679
1,3-bis[1-(4-methylsulfanylphenyl)ethenyl]benzene
CID 121386952

Frequently Asked Questions

What is the IUPAC name of ethane;4-(1-phenylethenyl)benzene-1,2-diamine?
The IUPAC name of ethane;4-(1-phenylethenyl)benzene-1,2-diamine (CID 54049505) is ethane;4-(1-phenylethenyl)benzene-1,2-diamine.
What is the SMILES notation for ethane;4-(1-phenylethenyl)benzene-1,2-diamine?
The canonical SMILES for ethane;4-(1-phenylethenyl)benzene-1,2-diamine is C=C(c1ccccc1)c1ccc(N)c(N)c1.CC.CC.
What is the InChIKey of ethane;4-(1-phenylethenyl)benzene-1,2-diamine?
The InChIKey is LRXBRCIZRAKCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2.2C2H6/c1-10(11-5-3-2-4-6-11)12-7-8-13(15)14(16)9-12;2*1-2/h2-9H,1,15-16H2;2*1-2H3.
What are the key properties of ethane;4-(1-phenylethenyl)benzene-1,2-diamine?
ethane;4-(1-phenylethenyl)benzene-1,2-diamine has a molecular weight of 270.42 g/mol, XLogP of 4.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(1-phenylethenyl)benzene-1,2-diamine is sourced from PubChem (CID 54049505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).