3-N-(2-propan-2-yloxyphenyl)benzene-1,3-diamine

C15H18N2O — CID 117027093

IUPAC3-N-(2-propan-2-yloxyphenyl)benzene-1,3-diamine
SMILESCC(C)Oc1ccccc1Nc1cccc(N)c1
InChIInChI=1S/C15H18N2O/c1-11(2)18-15-9-4-3-8-14(15)17-13-7-5-6-12(16)10-13/h3-11,17H,16H2,1-2H3
InChIKeyQXLDOFGIYMQMEP-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.80
Rot. Bonds4

About 3-N-(2-propan-2-yloxyphenyl)benzene-1,3-diamine

3-N-(2-propan-2-yloxyphenyl)benzene-1,3-diamine (PubChem CID 117027093) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-N-(2-propan-2-yloxyphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-propan-2-yloxyphenyl)benzene-1,3-diamine
PubChem CID117027093
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-N-(2-propan-2-yloxyphenyl)benzene-1,3-diamine
SMILESCC(C)Oc1ccccc1Nc1cccc(N)c1
InChIInChI=1S/C15H18N2O/c1-11(2)18-15-9-4-3-8-14(15)17-13-7-5-6-12(16)10-13/h3-11,17H,16H2,1-2H3
InChIKeyQXLDOFGIYMQMEP-UHFFFAOYSA-N
XLogP3.80
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N-(2-propan-2-ylphenyl)benzene-1,3-diamine
CID 43132792
N-[4-(aminomethyl)phenyl]-2-propan-2-yloxyaniline
CID 117027387
1-N-(3-propan-2-yloxyphenyl)benzene-1,2,4-triamine
CID 54794975
3-amino-N-(2-propan-2-yloxyphenyl)benzamide
CID 28722379
3-N-(2-bromophenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80723056
6-N-(3-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112866173
6-methyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112926836
1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine
CID 19024304
6-N-(3-fluorophenyl)-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112878564
6-N-(3-methoxyphenyl)-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112878334
4-N-(2,3-dimethylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002233
4-(2-propan-2-yloxyanilino)benzoic acid
CID 82535891

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-propan-2-yloxyphenyl)benzene-1,3-diamine?
The IUPAC name of 3-N-(2-propan-2-yloxyphenyl)benzene-1,3-diamine (CID 117027093) is 3-N-(2-propan-2-yloxyphenyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-(2-propan-2-yloxyphenyl)benzene-1,3-diamine?
The canonical SMILES for 3-N-(2-propan-2-yloxyphenyl)benzene-1,3-diamine is CC(C)Oc1ccccc1Nc1cccc(N)c1.
What is the InChIKey of 3-N-(2-propan-2-yloxyphenyl)benzene-1,3-diamine?
The InChIKey is QXLDOFGIYMQMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11(2)18-15-9-4-3-8-14(15)17-13-7-5-6-12(16)10-13/h3-11,17H,16H2,1-2H3.
What are the key properties of 3-N-(2-propan-2-yloxyphenyl)benzene-1,3-diamine?
3-N-(2-propan-2-yloxyphenyl)benzene-1,3-diamine has a molecular weight of 242.32 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-propan-2-yloxyphenyl)benzene-1,3-diamine is sourced from PubChem (CID 117027093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).