4-(1-amino-2-methylpropyl)aniline

C10H16N2 — CID 55283645

IUPAC4-(1-amino-2-methylpropyl)aniline
SMILESCC(C)C(N)c1ccc(N)cc1
InChIInChI=1S/C10H16N2/c1-7(2)10(12)8-3-5-9(11)6-4-8/h3-7,10H,11-12H2,1-2H3
InChIKeyGGICBSHPDFTUAB-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.92
Rot. Bonds2

About 4-(1-amino-2-methylpropyl)aniline

4-(1-amino-2-methylpropyl)aniline (PubChem CID 55283645) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-(1-amino-2-methylpropyl)aniline.

Molecular Properties

Compound Name4-(1-amino-2-methylpropyl)aniline
PubChem CID55283645
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name4-(1-amino-2-methylpropyl)aniline
SMILESCC(C)C(N)c1ccc(N)cc1
InChIInChI=1S/C10H16N2/c1-7(2)10(12)8-3-5-9(11)6-4-8/h3-7,10H,11-12H2,1-2H3
InChIKeyGGICBSHPDFTUAB-UHFFFAOYSA-N
XLogP1.92
TPSA52.04 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 ≤ 51.92
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

4-(1-fluoro-2-methylpropyl)aniline
CID 83855607
(1S)-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 7129632
4-[(1S)-1-amino-2-methylpropyl]phenol
CID 55278792
(1R)-1-(4-fluorophenyl)-2-methylpropan-1-amine;hydrochloride
CID 45072381
4-(1-amino-2,2-dimethylpropyl)aniline
CID 70658463
1-(4-butan-2-ylphenyl)-2-methylpropan-1-amine
CID 4962685
(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 71134587
4-(1-amino-2-methylpropyl)-N,N-dimethylaniline;ethane
CID 142883586
1-(4-cyclopropyloxyphenyl)-2-methylpropan-1-amine
CID 114519212
4-(difluoromethyl)aniline;ethane
CID 178149856
5-[(1S)-1-amino-2-methylpropyl]pyridin-2-amine
CID 130619060
(1R,2S)-1-amino-3-methyl-1-(4-propan-2-ylphenyl)butan-2-ol
CID 171160973

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-methylpropyl)aniline?
The IUPAC name of 4-(1-amino-2-methylpropyl)aniline (CID 55283645) is 4-(1-amino-2-methylpropyl)aniline.
What is the SMILES notation for 4-(1-amino-2-methylpropyl)aniline?
The canonical SMILES for 4-(1-amino-2-methylpropyl)aniline is CC(C)C(N)c1ccc(N)cc1.
What is the InChIKey of 4-(1-amino-2-methylpropyl)aniline?
The InChIKey is GGICBSHPDFTUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-7(2)10(12)8-3-5-9(11)6-4-8/h3-7,10H,11-12H2,1-2H3.
What are the key properties of 4-(1-amino-2-methylpropyl)aniline?
4-(1-amino-2-methylpropyl)aniline has a molecular weight of 164.25 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-methylpropyl)aniline is sourced from PubChem (CID 55283645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).