3-(1-amino-2,3-dimethylbutan-2-yl)aniline

C12H20N2 — CID 117048034

IUPAC3-(1-amino-2,3-dimethylbutan-2-yl)aniline
SMILESCC(C)C(C)(CN)c1cccc(N)c1
InChIInChI=1S/C12H20N2/c1-9(2)12(3,8-13)10-5-4-6-11(14)7-10/h4-7,9H,8,13-14H2,1-3H3
InChIKeyCMIZUBRMPAZRRH-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.14
Rot. Bonds3

About 3-(1-amino-2,3-dimethylbutan-2-yl)aniline

3-(1-amino-2,3-dimethylbutan-2-yl)aniline (PubChem CID 117048034) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 3-(1-amino-2,3-dimethylbutan-2-yl)aniline.

Molecular Properties

Compound Name3-(1-amino-2,3-dimethylbutan-2-yl)aniline
PubChem CID117048034
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name3-(1-amino-2,3-dimethylbutan-2-yl)aniline
SMILESCC(C)C(C)(CN)c1cccc(N)c1
InChIInChI=1S/C12H20N2/c1-9(2)12(3,8-13)10-5-4-6-11(14)7-10/h4-7,9H,8,13-14H2,1-3H3
InChIKeyCMIZUBRMPAZRRH-UHFFFAOYSA-N
XLogP2.14
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.14
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

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3-(1-fluoro-2-methylpropan-2-yl)aniline
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3-[(2R)-2-aminobutan-2-yl]aniline
CID 131128672
(3-aminophenyl)methanetriamine
CID 175509279
2-[3-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-amine
CID 57243357
2-(2,3-difluorophenyl)-2,3-dimethylbutan-1-amine
CID 117048006
2-(2-bromo-6-fluorophenyl)-2,3-dimethylbutan-1-amine
CID 117048016
2-methyl-2-(3-methylphenyl)propan-1-amine
CID 47002400
benzene-1,3-diamine
CID 7935
3-N-(2,3,3-trimethylbutyl)benzene-1,3-diamine
CID 83142103

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2,3-dimethylbutan-2-yl)aniline?
The IUPAC name of 3-(1-amino-2,3-dimethylbutan-2-yl)aniline (CID 117048034) is 3-(1-amino-2,3-dimethylbutan-2-yl)aniline.
What is the SMILES notation for 3-(1-amino-2,3-dimethylbutan-2-yl)aniline?
The canonical SMILES for 3-(1-amino-2,3-dimethylbutan-2-yl)aniline is CC(C)C(C)(CN)c1cccc(N)c1.
What is the InChIKey of 3-(1-amino-2,3-dimethylbutan-2-yl)aniline?
The InChIKey is CMIZUBRMPAZRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-9(2)12(3,8-13)10-5-4-6-11(14)7-10/h4-7,9H,8,13-14H2,1-3H3.
What are the key properties of 3-(1-amino-2,3-dimethylbutan-2-yl)aniline?
3-(1-amino-2,3-dimethylbutan-2-yl)aniline has a molecular weight of 192.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2,3-dimethylbutan-2-yl)aniline is sourced from PubChem (CID 117048034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).