3-(2-tert-butylanilino)-2-methylpropan-1-ol

C14H23NO — CID 115871945

IUPAC3-(2-tert-butylanilino)-2-methylpropan-1-ol
SMILESCC(CO)CNc1ccccc1C(C)(C)C
InChIInChI=1S/C14H23NO/c1-11(10-16)9-15-13-8-6-5-7-12(13)14(2,3)4/h5-8,11,15-16H,9-10H2,1-4H3
InChIKeyLLUNSUWKFMLNOX-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.02
Rot. Bonds4

About 3-(2-tert-butylanilino)-2-methylpropan-1-ol

3-(2-tert-butylanilino)-2-methylpropan-1-ol (PubChem CID 115871945) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-(2-tert-butylanilino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(2-tert-butylanilino)-2-methylpropan-1-ol
PubChem CID115871945
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-(2-tert-butylanilino)-2-methylpropan-1-ol
SMILESCC(CO)CNc1ccccc1C(C)(C)C
InChIInChI=1S/C14H23NO/c1-11(10-16)9-15-13-8-6-5-7-12(13)14(2,3)4/h5-8,11,15-16H,9-10H2,1-4H3
InChIKeyLLUNSUWKFMLNOX-UHFFFAOYSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[2-(trifluoromethylsulfonyl)anilino]propan-1-ol
CID 61362995
2-(2-tert-butylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 60686094
2-methyl-3-(2-propylanilino)propan-1-ol
CID 115872000
2-tert-butyl-N-(3-methylbutan-2-yl)aniline
CID 43682932
N-(2-tert-butylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 111542622
3-(2,4-dimethylanilino)-2-methylpropan-1-ol
CID 115871838
3-(3-iodo-2-methylanilino)-2-methylpropan-1-ol
CID 126973155
2-tert-butyl-N-(2,2-dimethylpropyl)aniline
CID 63426950
N-(2-tert-butylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47228973
3-[2-(3-hydroxypentan-3-yl)anilino]propane-1,2-diol
CID 168596692
2-tert-butyl-N-propylaniline
CID 39238556
N-(2-tert-butylphenyl)hydroxylamine;hydrochloride
CID 175259638

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylanilino)-2-methylpropan-1-ol?
The IUPAC name of 3-(2-tert-butylanilino)-2-methylpropan-1-ol (CID 115871945) is 3-(2-tert-butylanilino)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(2-tert-butylanilino)-2-methylpropan-1-ol?
The canonical SMILES for 3-(2-tert-butylanilino)-2-methylpropan-1-ol is CC(CO)CNc1ccccc1C(C)(C)C.
What is the InChIKey of 3-(2-tert-butylanilino)-2-methylpropan-1-ol?
The InChIKey is LLUNSUWKFMLNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(10-16)9-15-13-8-6-5-7-12(13)14(2,3)4/h5-8,11,15-16H,9-10H2,1-4H3.
What are the key properties of 3-(2-tert-butylanilino)-2-methylpropan-1-ol?
3-(2-tert-butylanilino)-2-methylpropan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylanilino)-2-methylpropan-1-ol is sourced from PubChem (CID 115871945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).