2,2-dimethyl-3-(2-propoxyanilino)propan-1-ol

C14H23NO2 — CID 81414196

IUPAC2,2-dimethyl-3-(2-propoxyanilino)propan-1-ol
SMILESCCCOc1ccccc1NCC(C)(C)CO
InChIInChI=1S/C14H23NO2/c1-4-9-17-13-8-6-5-7-12(13)15-10-14(2,3)11-16/h5-8,15-16H,4,9-11H2,1-3H3
InChIKeyVIXCGKYZNCDFQB-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.91
Rot. Bonds7

About 2,2-dimethyl-3-(2-propoxyanilino)propan-1-ol

2,2-dimethyl-3-(2-propoxyanilino)propan-1-ol (PubChem CID 81414196) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-propoxyanilino)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-propoxyanilino)propan-1-ol
PubChem CID81414196
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2,2-dimethyl-3-(2-propoxyanilino)propan-1-ol
SMILESCCCOc1ccccc1NCC(C)(C)CO
InChIInChI=1S/C14H23NO2/c1-4-9-17-13-8-6-5-7-12(13)15-10-14(2,3)11-16/h5-8,15-16H,4,9-11H2,1-3H3
InChIKeyVIXCGKYZNCDFQB-UHFFFAOYSA-N
XLogP2.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylbutyl)-2-propoxyaniline
CID 63427056
2-bromo-2-methyl-N-(2-propoxyphenyl)propanamide
CID 114327800
2-amino-2-methyl-N-(2-propoxyphenyl)propanamide
CID 61265402
N-(2-methylpropyl)-2-propoxyaniline
CID 43682255
3-(2-ethylanilino)-2,2-dimethylpropan-1-ol
CID 81414834
N-(cyclopropylmethyl)-2-propoxyaniline
CID 43682348
methyl N-(2-propoxyphenyl)carbamate
CID 19872099
2-ethyl-2-[[2-(2,2,2-trifluoroethoxy)anilino]methyl]butan-1-ol
CID 81400610
N-(2-methylbutyl)-2-propoxyaniline
CID 43682211
2-methylsulfanyl-N-(2-propoxyphenyl)acetamide
CID 112793569
3-(2-bromoanilino)-2,2-dimethylpropan-1-ol
CID 81414093
4-(2-butoxyanilino)butan-1-ol
CID 54803446

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-propoxyanilino)propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(2-propoxyanilino)propan-1-ol (CID 81414196) is 2,2-dimethyl-3-(2-propoxyanilino)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(2-propoxyanilino)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(2-propoxyanilino)propan-1-ol is CCCOc1ccccc1NCC(C)(C)CO.
What is the InChIKey of 2,2-dimethyl-3-(2-propoxyanilino)propan-1-ol?
The InChIKey is VIXCGKYZNCDFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-9-17-13-8-6-5-7-12(13)15-10-14(2,3)11-16/h5-8,15-16H,4,9-11H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(2-propoxyanilino)propan-1-ol?
2,2-dimethyl-3-(2-propoxyanilino)propan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-propoxyanilino)propan-1-ol is sourced from PubChem (CID 81414196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).