4-methyl-3-N-propan-2-ylbenzene-1,3-diamine

C10H16N2 — CID 62590491

IUPAC4-methyl-3-N-propan-2-ylbenzene-1,3-diamine
SMILESCc1ccc(N)cc1NC(C)C
InChIInChI=1S/C10H16N2/c1-7(2)12-10-6-9(11)5-4-8(10)3/h4-7,12H,11H2,1-3H3
InChIKeyKAUPZZNAWWDXPC-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.40
Rot. Bonds2

About 4-methyl-3-N-propan-2-ylbenzene-1,3-diamine

4-methyl-3-N-propan-2-ylbenzene-1,3-diamine (PubChem CID 62590491) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-methyl-3-N-propan-2-ylbenzene-1,3-diamine.

Molecular Properties

Compound Name4-methyl-3-N-propan-2-ylbenzene-1,3-diamine
PubChem CID62590491
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name4-methyl-3-N-propan-2-ylbenzene-1,3-diamine
SMILESCc1ccc(N)cc1NC(C)C
InChIInChI=1S/C10H16N2/c1-7(2)12-10-6-9(11)5-4-8(10)3/h4-7,12H,11H2,1-3H3
InChIKeyKAUPZZNAWWDXPC-UHFFFAOYSA-N
XLogP2.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.40
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

methyl 2-(5-amino-2-methylanilino)propanoate
CID 62590331
4-methyl-3-N-(1-pyrrolidin-1-ylpropan-2-yl)benzene-1,3-diamine
CID 62590164
3-N-(1-methoxy-3-methylbutan-2-yl)-4-methylbenzene-1,3-diamine
CID 65047711
3-N-(4-methoxybutan-2-yl)-4-methylbenzene-1,3-diamine
CID 64600487
3-N-[1-(4-methoxyphenyl)ethyl]-4-methylbenzene-1,3-diamine
CID 66195446
4-methyl-3-N-(3-methylbutyl)benzene-1,3-diamine
CID 62590495
3-N-[1-(4-fluorophenyl)propan-2-yl]-4-methylbenzene-1,3-diamine
CID 55140908
4-methyl-3-N-(1-methylcyclopentyl)benzene-1,3-diamine
CID 62589807
3-N-(1-cyclohexylpropyl)-4-methylbenzene-1,3-diamine
CID 62589796
3-N-(3-ethylpentan-3-yl)-4-methylbenzene-1,3-diamine
CID 65039934
1-[4-methyl-3-(propan-2-ylamino)phenyl]ethanone
CID 59080758
ethane;4-methanimidoyl-3-N-propan-2-ylbenzene-1,3-diamine
CID 177244096

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-N-propan-2-ylbenzene-1,3-diamine?
The IUPAC name of 4-methyl-3-N-propan-2-ylbenzene-1,3-diamine (CID 62590491) is 4-methyl-3-N-propan-2-ylbenzene-1,3-diamine.
What is the SMILES notation for 4-methyl-3-N-propan-2-ylbenzene-1,3-diamine?
The canonical SMILES for 4-methyl-3-N-propan-2-ylbenzene-1,3-diamine is Cc1ccc(N)cc1NC(C)C.
What is the InChIKey of 4-methyl-3-N-propan-2-ylbenzene-1,3-diamine?
The InChIKey is KAUPZZNAWWDXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-7(2)12-10-6-9(11)5-4-8(10)3/h4-7,12H,11H2,1-3H3.
What are the key properties of 4-methyl-3-N-propan-2-ylbenzene-1,3-diamine?
4-methyl-3-N-propan-2-ylbenzene-1,3-diamine has a molecular weight of 164.25 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-N-propan-2-ylbenzene-1,3-diamine is sourced from PubChem (CID 62590491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).