2-phenyl-5-propan-2-ylbenzene-1,4-diamine

C15H18N2 — CID 174528038

IUPAC2-phenyl-5-propan-2-ylbenzene-1,4-diamine
SMILESCC(C)c1cc(N)c(-c2ccccc2)cc1N
InChIInChI=1S/C15H18N2/c1-10(2)12-8-15(17)13(9-14(12)16)11-6-4-3-5-7-11/h3-10H,16-17H2,1-2H3
InChIKeyYBLXRLZNLGXENT-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.64
Rot. Bonds2

About 2-phenyl-5-propan-2-ylbenzene-1,4-diamine

2-phenyl-5-propan-2-ylbenzene-1,4-diamine (PubChem CID 174528038) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-phenyl-5-propan-2-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-phenyl-5-propan-2-ylbenzene-1,4-diamine
PubChem CID174528038
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name2-phenyl-5-propan-2-ylbenzene-1,4-diamine
SMILESCC(C)c1cc(N)c(-c2ccccc2)cc1N
InChIInChI=1S/C15H18N2/c1-10(2)12-8-15(17)13(9-14(12)16)11-6-4-3-5-7-11/h3-10H,16-17H2,1-2H3
InChIKeyYBLXRLZNLGXENT-UHFFFAOYSA-N
XLogP3.64
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.64
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

ethane;1-phenyl-2-propan-2-ylbenzene
CID 161308506
4-ethyl-2-phenyl-6-propan-2-ylaniline
CID 174291745
bis(4-phenyl-3,5-di(propan-2-yl)aniline);hydrate
CID 174678037
4,5-di(propan-2-yl)benzene-1,2-diamine
CID 122607621
8-methyl-1-phenyl-2-propan-2-ylazulene
CID 141167204
4-phenyl-2-propan-2-ylbenzene-1,3-diamine
CID 141068208
1-N-methyl-4-phenylbenzene-1,3-diamine
CID 68787466
4-phenyl-2-(4-phenylphenyl)aniline
CID 153492708
2-(4-methylphenyl)-4-phenyl-1-propan-2-ylbenzene
CID 163504482
2-benzyl-5-phenylbenzene-1,4-diamine
CID 141053780
1,2-diphenyl-3-propan-2-ylbenzene
CID 20568657
4-methoxy-2-phenyl-1-propan-2-ylbenzene
CID 118344819

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-propan-2-ylbenzene-1,4-diamine?
The IUPAC name of 2-phenyl-5-propan-2-ylbenzene-1,4-diamine (CID 174528038) is 2-phenyl-5-propan-2-ylbenzene-1,4-diamine.
What is the SMILES notation for 2-phenyl-5-propan-2-ylbenzene-1,4-diamine?
The canonical SMILES for 2-phenyl-5-propan-2-ylbenzene-1,4-diamine is CC(C)c1cc(N)c(-c2ccccc2)cc1N.
What is the InChIKey of 2-phenyl-5-propan-2-ylbenzene-1,4-diamine?
The InChIKey is YBLXRLZNLGXENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-10(2)12-8-15(17)13(9-14(12)16)11-6-4-3-5-7-11/h3-10H,16-17H2,1-2H3.
What are the key properties of 2-phenyl-5-propan-2-ylbenzene-1,4-diamine?
2-phenyl-5-propan-2-ylbenzene-1,4-diamine has a molecular weight of 226.32 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-propan-2-ylbenzene-1,4-diamine is sourced from PubChem (CID 174528038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).