4-[2-(4-aminophenyl)propan-2-yl]benzene-1,2-diamine

C15H19N3 — CID 138517761

IUPAC4-[2-(4-aminophenyl)propan-2-yl]benzene-1,2-diamine
SMILESCC(C)(c1ccc(N)cc1)c1ccc(N)c(N)c1
InChIInChI=1S/C15H19N3/c1-15(2,10-3-6-12(16)7-4-10)11-5-8-13(17)14(18)9-11/h3-9H,16-18H2,1-2H3
InChIKeyLWKJREOYDSVPDF-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.76
Rot. Bonds2

About 4-[2-(4-aminophenyl)propan-2-yl]benzene-1,2-diamine

4-[2-(4-aminophenyl)propan-2-yl]benzene-1,2-diamine (PubChem CID 138517761) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-[2-(4-aminophenyl)propan-2-yl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-[2-(4-aminophenyl)propan-2-yl]benzene-1,2-diamine
PubChem CID138517761
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name4-[2-(4-aminophenyl)propan-2-yl]benzene-1,2-diamine
SMILESCC(C)(c1ccc(N)cc1)c1ccc(N)c(N)c1
InChIInChI=1S/C15H19N3/c1-15(2,10-3-6-12(16)7-4-10)11-5-8-13(17)14(18)9-11/h3-9H,16-18H2,1-2H3
InChIKeyLWKJREOYDSVPDF-UHFFFAOYSA-N
XLogP2.76
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-aminophenoxy)phenoxy]aniline;4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline
CID 69301255
4-[(4-aminophenyl)methyl]aniline;4-[2-(4-aminophenyl)propan-2-yl]aniline
CID 160813980
4-[2-(4-aminophenyl)propan-2-yl]-2-chlorophenol
CID 139601186
3,6-bis[2-(4-aminophenyl)propan-2-yl]benzene-1,2-diamine
CID 57264580
2-(3,4-diaminophenyl)-2-methylpropan-1-ol
CID 144721361
4-[4-[4-(4-aminophenoxy)phenyl]phenoxy]aniline;4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline
CID 19763520
benzene;4-tert-butylaniline
CID 175140068
(1S)-1-(3,4-diaminophenyl)-1-phenylethanol
CID 124563063
2-methoxy-5-(2-phenylpropan-2-yl)aniline;hydrochloride
CID 2757944
4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline;bis(4-aminophenyl)methanone
CID 175338942
4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline;sulfuric acid
CID 67649419
4-N-(4-tert-butylphenyl)benzene-1,2,4-triamine
CID 106750291

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-aminophenyl)propan-2-yl]benzene-1,2-diamine?
The IUPAC name of 4-[2-(4-aminophenyl)propan-2-yl]benzene-1,2-diamine (CID 138517761) is 4-[2-(4-aminophenyl)propan-2-yl]benzene-1,2-diamine.
What is the SMILES notation for 4-[2-(4-aminophenyl)propan-2-yl]benzene-1,2-diamine?
The canonical SMILES for 4-[2-(4-aminophenyl)propan-2-yl]benzene-1,2-diamine is CC(C)(c1ccc(N)cc1)c1ccc(N)c(N)c1.
What is the InChIKey of 4-[2-(4-aminophenyl)propan-2-yl]benzene-1,2-diamine?
The InChIKey is LWKJREOYDSVPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-15(2,10-3-6-12(16)7-4-10)11-5-8-13(17)14(18)9-11/h3-9H,16-18H2,1-2H3.
What are the key properties of 4-[2-(4-aminophenyl)propan-2-yl]benzene-1,2-diamine?
4-[2-(4-aminophenyl)propan-2-yl]benzene-1,2-diamine has a molecular weight of 241.34 g/mol, XLogP of 2.76, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminophenyl)propan-2-yl]benzene-1,2-diamine is sourced from PubChem (CID 138517761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).