N-(2,2-dimethylpropyl)-2-methoxyaniline

C12H19NO — CID 20785776

IUPACN-(2,2-dimethylpropyl)-2-methoxyaniline
SMILESCOc1ccccc1NCC(C)(C)C
InChIInChI=1S/C12H19NO/c1-12(2,3)9-13-10-7-5-6-8-11(10)14-4/h5-8,13H,9H2,1-4H3
InChIKeyZCFNMYVNMCURNH-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.15
Rot. Bonds3

About N-(2,2-dimethylpropyl)-2-methoxyaniline

N-(2,2-dimethylpropyl)-2-methoxyaniline (PubChem CID 20785776) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-methoxyaniline.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-methoxyaniline
PubChem CID20785776
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-(2,2-dimethylpropyl)-2-methoxyaniline
SMILESCOc1ccccc1NCC(C)(C)C
InChIInChI=1S/C12H19NO/c1-12(2,3)9-13-10-7-5-6-8-11(10)14-4/h5-8,13H,9H2,1-4H3
InChIKeyZCFNMYVNMCURNH-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-(2-methyl-2-phenylpropyl)aniline
CID 82538820
1-(2-methoxyanilino)-2-phenylpropan-2-ol
CID 62374822
1-N,2-N-bis(2,2-dimethylpropyl)benzene-1,2-diamine
CID 5250269
2-ethyl-2-[(2-methoxyanilino)methyl]butan-1-ol
CID 81410769
methyl 2-(2,2-dimethylpropylamino)benzoate
CID 61325547
2-methoxy-N-pent-3-ynylaniline
CID 104744047
2-N-cyclopropyl-1-N-(2-methoxyphenyl)-2-phenylpropane-1,2-diamine
CID 67657665
1-(4-acetylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone
CID 108996173
2-tert-butyl-N-(2,2-dimethylpropyl)aniline
CID 63426950
1-[(2-methoxyanilino)methyl]cyclobutan-1-ol
CID 131701666
tert-butyl 3-(2-methoxyanilino)propanoate
CID 103231727
N-[(2-ethylphenyl)methyl]-2-methoxyaniline
CID 62391032

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-methoxyaniline?
The IUPAC name of N-(2,2-dimethylpropyl)-2-methoxyaniline (CID 20785776) is N-(2,2-dimethylpropyl)-2-methoxyaniline.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-methoxyaniline?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-methoxyaniline is COc1ccccc1NCC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-methoxyaniline?
The InChIKey is ZCFNMYVNMCURNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-12(2,3)9-13-10-7-5-6-8-11(10)14-4/h5-8,13H,9H2,1-4H3.
What are the key properties of N-(2,2-dimethylpropyl)-2-methoxyaniline?
N-(2,2-dimethylpropyl)-2-methoxyaniline has a molecular weight of 193.29 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-methoxyaniline is sourced from PubChem (CID 20785776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).