1-(3,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol

C13H21NO — CID 62773929

IUPAC1-(3,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol
SMILESCc1cc(C)cc(C(O)CNC(C)C)c1
InChIInChI=1S/C13H21NO/c1-9(2)14-8-13(15)12-6-10(3)5-11(4)7-12/h5-7,9,13-15H,8H2,1-4H3
InChIKeyQSNFVBLHALDKSC-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.33
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol

1-(3,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol (PubChem CID 62773929) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol
PubChem CID62773929
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(3,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol
SMILESCc1cc(C)cc(C(O)CNC(C)C)c1
InChIInChI=1S/C13H21NO/c1-9(2)14-8-13(15)12-6-10(3)5-11(4)7-12/h5-7,9,13-15H,8H2,1-4H3
InChIKeyQSNFVBLHALDKSC-UHFFFAOYSA-N
XLogP2.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-hydroxy-2-(propan-2-ylamino)ethyl]-2,6-dimethylphenol
CID 110177993
1-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 157085885
2-(propan-2-ylamino)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 62773539
(2S)-1-[[(1S)-1-(3,5-dimethylphenyl)ethyl]amino]propan-2-ol
CID 97357890
4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]phenol
CID 76959355
(1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553219
(1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553259
1-[4-(2-methylpropyl)phenyl]-2-(propan-2-ylamino)ethanol
CID 60903668
1-(3-bromo-4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 83240387
1-(4-amino-3-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 13355733
1-(4-bromo-3-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 81442005
1-(4-methylsulfanylphenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 172687995

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol (CID 62773929) is 1-(3,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol is Cc1cc(C)cc(C(O)CNC(C)C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol?
The InChIKey is QSNFVBLHALDKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9(2)14-8-13(15)12-6-10(3)5-11(4)7-12/h5-7,9,13-15H,8H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol?
1-(3,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol has a molecular weight of 207.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 62773929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).