3-[2-(2,2-dimethylpropylamino)phenyl]propan-1-ol

C14H23NO — CID 59833377

IUPAC3-[2-(2,2-dimethylpropylamino)phenyl]propan-1-ol
SMILESCC(C)(C)CNc1ccccc1CCCO
InChIInChI=1S/C14H23NO/c1-14(2,3)11-15-13-9-5-4-7-12(13)8-6-10-16/h4-5,7,9,15-16H,6,8,10-11H2,1-3H3
InChIKeyTUMODLSARLKCSJ-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.07
Rot. Bonds5

About 3-[2-(2,2-dimethylpropylamino)phenyl]propan-1-ol

3-[2-(2,2-dimethylpropylamino)phenyl]propan-1-ol (PubChem CID 59833377) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-[2-(2,2-dimethylpropylamino)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(2,2-dimethylpropylamino)phenyl]propan-1-ol
PubChem CID59833377
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-[2-(2,2-dimethylpropylamino)phenyl]propan-1-ol
SMILESCC(C)(C)CNc1ccccc1CCCO
InChIInChI=1S/C14H23NO/c1-14(2,3)11-15-13-9-5-4-7-12(13)8-6-10-16/h4-5,7,9,15-16H,6,8,10-11H2,1-3H3
InChIKeyTUMODLSARLKCSJ-UHFFFAOYSA-N
XLogP3.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,2-N-bis(2,2-dimethylpropyl)benzene-1,2-diamine
CID 5250269
4-[2-(2,2-dimethylpropylamino)-4-methylphenyl]butan-1-ol
CID 59833437
2-(2-butylanilino)ethanol
CID 139597188
tert-butyl N-[2-(3-hydroxypropyl)phenyl]carbamate
CID 23021010
2-(2-nonylanilino)ethanol
CID 160982770
N-[2-(4-hydroxybutyl)phenyl]acetamide
CID 105460610
2,2,2-trifluoro-N-[2-(3-hydroxypropyl)phenyl]acetamide
CID 88546712
3-[2-(2-methoxyethyl)anilino]propan-1-ol
CID 102847222
2-phenyl-1-(2-propylanilino)propan-2-ol
CID 62375007
3-(2-ethylanilino)-2,2-dimethylpropan-1-ol
CID 81414834
tert-butyl N-[3-[2-(2-hydroxyethylamino)phenyl]propyl]carbamate
CID 123143474
2-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid
CID 102905071

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,2-dimethylpropylamino)phenyl]propan-1-ol?
The IUPAC name of 3-[2-(2,2-dimethylpropylamino)phenyl]propan-1-ol (CID 59833377) is 3-[2-(2,2-dimethylpropylamino)phenyl]propan-1-ol.
What is the SMILES notation for 3-[2-(2,2-dimethylpropylamino)phenyl]propan-1-ol?
The canonical SMILES for 3-[2-(2,2-dimethylpropylamino)phenyl]propan-1-ol is CC(C)(C)CNc1ccccc1CCCO.
What is the InChIKey of 3-[2-(2,2-dimethylpropylamino)phenyl]propan-1-ol?
The InChIKey is TUMODLSARLKCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-14(2,3)11-15-13-9-5-4-7-12(13)8-6-10-16/h4-5,7,9,15-16H,6,8,10-11H2,1-3H3.
What are the key properties of 3-[2-(2,2-dimethylpropylamino)phenyl]propan-1-ol?
3-[2-(2,2-dimethylpropylamino)phenyl]propan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,2-dimethylpropylamino)phenyl]propan-1-ol is sourced from PubChem (CID 59833377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).