2-N-[3-(2-aminoanilino)phenyl]benzene-1,2-diamine

C18H18N4 — CID 18522059

IUPAC2-N-[3-(2-aminoanilino)phenyl]benzene-1,2-diamine
SMILESNc1ccccc1Nc1cccc(Nc2ccccc2N)c1
InChIInChI=1S/C18H18N4/c19-15-8-1-3-10-17(15)21-13-6-5-7-14(12-13)22-18-11-4-2-9-16(18)20/h1-12,21-22H,19-20H2
InChIKeyICWJMFHAQSHPLX-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.34
Rot. Bonds4

About 2-N-[3-(2-aminoanilino)phenyl]benzene-1,2-diamine

2-N-[3-(2-aminoanilino)phenyl]benzene-1,2-diamine (PubChem CID 18522059) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-N-[3-(2-aminoanilino)phenyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[3-(2-aminoanilino)phenyl]benzene-1,2-diamine
PubChem CID18522059
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name2-N-[3-(2-aminoanilino)phenyl]benzene-1,2-diamine
SMILESNc1ccccc1Nc1cccc(Nc2ccccc2N)c1
InChIInChI=1S/C18H18N4/c19-15-8-1-3-10-17(15)21-13-6-5-7-14(12-13)22-18-11-4-2-9-16(18)20/h1-12,21-22H,19-20H2
InChIKeyICWJMFHAQSHPLX-UHFFFAOYSA-N
XLogP4.34
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 3729763
2-N-(3-pyridin-3-ylphenyl)benzene-1,2-diamine
CID 155166401
tert-butyl N-[3-(2-aminoanilino)phenyl]carbamate
CID 129052010
2-N-(3-bromo-4-methylphenyl)benzene-1,2-diamine
CID 63333214
2-N-(3-fluoro-4-methylphenyl)benzene-1,2-diamine
CID 29067362
4-(2-aminoanilino)-2-methylbenzenethiol
CID 174466890
ethyl 3-(2-aminoanilino)benzoate
CID 59419795
2-amino-6-anilinophenol
CID 23106882
2-N-(1-benzothiophen-5-yl)benzene-1,2-diamine
CID 65475625
2-N-(3-bromo-5-methylphenyl)benzene-1,2-diamine
CID 107581799
2-N-(1H-pyrrol-3-yl)benzene-1,2-diamine
CID 115124277
3-N-(3-fluorophenyl)-2-methylbenzene-1,3-diamine
CID 63077124

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(2-aminoanilino)phenyl]benzene-1,2-diamine?
The IUPAC name of 2-N-[3-(2-aminoanilino)phenyl]benzene-1,2-diamine (CID 18522059) is 2-N-[3-(2-aminoanilino)phenyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-[3-(2-aminoanilino)phenyl]benzene-1,2-diamine?
The canonical SMILES for 2-N-[3-(2-aminoanilino)phenyl]benzene-1,2-diamine is Nc1ccccc1Nc1cccc(Nc2ccccc2N)c1.
What is the InChIKey of 2-N-[3-(2-aminoanilino)phenyl]benzene-1,2-diamine?
The InChIKey is ICWJMFHAQSHPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c19-15-8-1-3-10-17(15)21-13-6-5-7-14(12-13)22-18-11-4-2-9-16(18)20/h1-12,21-22H,19-20H2.
What are the key properties of 2-N-[3-(2-aminoanilino)phenyl]benzene-1,2-diamine?
2-N-[3-(2-aminoanilino)phenyl]benzene-1,2-diamine has a molecular weight of 290.37 g/mol, XLogP of 4.34, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(2-aminoanilino)phenyl]benzene-1,2-diamine is sourced from PubChem (CID 18522059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).