1-(2-aminophenyl)ethanone;3,3-dimethylbutan-1-amine;ethane

C16H30N2O — CID 178163170

IUPAC1-(2-aminophenyl)ethanone;3,3-dimethylbutan-1-amine;ethane
SMILESCC.CC(=O)c1ccccc1N.CC(C)(C)CCN
InChIInChI=1S/C8H9NO.C6H15N.C2H6/c1-6(10)7-4-2-3-5-8(7)9;1-6(2,3)4-5-7;1-2/h2-5H,9H2,1H3;4-5,7H2,1-3H3;1-2H3
InChIKeyBRPNMRJOVJJGSS-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.88
Rot. Bonds2

About 1-(2-aminophenyl)ethanone;3,3-dimethylbutan-1-amine;ethane

1-(2-aminophenyl)ethanone;3,3-dimethylbutan-1-amine;ethane (PubChem CID 178163170) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(2-aminophenyl)ethanone;3,3-dimethylbutan-1-amine;ethane.

Molecular Properties

Compound Name1-(2-aminophenyl)ethanone;3,3-dimethylbutan-1-amine;ethane
PubChem CID178163170
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(2-aminophenyl)ethanone;3,3-dimethylbutan-1-amine;ethane
SMILESCC.CC(=O)c1ccccc1N.CC(C)(C)CCN
InChIInChI=1S/C8H9NO.C6H15N.C2H6/c1-6(10)7-4-2-3-5-8(7)9;1-6(2,3)4-5-7;1-2/h2-5H,9H2,1H3;4-5,7H2,1-3H3;1-2H3
InChIKeyBRPNMRJOVJJGSS-UHFFFAOYSA-N
XLogP3.88
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.88
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

1-(2-aminophenyl)ethanone;pyridine-4-carboxylic acid
CID 70522461
1-(2-acetylphenyl)-2-bromoethanone
CID 10037328
1-[2-(2-aminoethyl)phenyl]ethanone;ethane
CID 145089346
2,3-diamino-N,N-bis(4-amino-2-methylbutan-2-yl)benzamide
CID 70385195
1-[2-(3-bromoprop-1-en-2-yl)phenyl]ethanone
CID 155419737
4-amino-1-(2-aminophenyl)butan-1-one
CID 54530410
N-(2-aminophenyl)-2-bromoacetamide
CID 89401895
1-(2-acetylphenyl)ethanone;methane
CID 158210616
3-[(2-aminobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174920
2-acetylbenzohydrazide;hydrochloride
CID 175815383
2-amino-N-(2-hydroxypropyl)benzamide
CID 12562298
2-aminobenzamide;pentan-1-amine
CID 174724084

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)ethanone;3,3-dimethylbutan-1-amine;ethane?
The IUPAC name of 1-(2-aminophenyl)ethanone;3,3-dimethylbutan-1-amine;ethane (CID 178163170) is 1-(2-aminophenyl)ethanone;3,3-dimethylbutan-1-amine;ethane.
What is the SMILES notation for 1-(2-aminophenyl)ethanone;3,3-dimethylbutan-1-amine;ethane?
The canonical SMILES for 1-(2-aminophenyl)ethanone;3,3-dimethylbutan-1-amine;ethane is CC.CC(=O)c1ccccc1N.CC(C)(C)CCN.
What is the InChIKey of 1-(2-aminophenyl)ethanone;3,3-dimethylbutan-1-amine;ethane?
The InChIKey is BRPNMRJOVJJGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.C6H15N.C2H6/c1-6(10)7-4-2-3-5-8(7)9;1-6(2,3)4-5-7;1-2/h2-5H,9H2,1H3;4-5,7H2,1-3H3;1-2H3.
What are the key properties of 1-(2-aminophenyl)ethanone;3,3-dimethylbutan-1-amine;ethane?
1-(2-aminophenyl)ethanone;3,3-dimethylbutan-1-amine;ethane has a molecular weight of 266.43 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)ethanone;3,3-dimethylbutan-1-amine;ethane is sourced from PubChem (CID 178163170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).