1-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)ethanol;hydrochloride

C13H22ClNO3 — CID 157085885

IUPAC1-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
SMILESCOc1cc(OC)cc(C(O)CNC(C)C)c1.Cl
InChIInChI=1S/C13H21NO3.ClH/c1-9(2)14-8-13(15)10-5-11(16-3)7-12(6-10)17-4;/h5-7,9,13-15H,8H2,1-4H3;1H
InChIKeyAEBRLCWRLBMMLC-UHFFFAOYSA-N
MW275.78 g/mol
LogP2.16
Rot. Bonds6

About 1-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)ethanol;hydrochloride

1-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)ethanol;hydrochloride (PubChem CID 157085885) has the molecular formula C13H22ClNO3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)ethanol;hydrochloride.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
PubChem CID157085885
Molecular FormulaC13H22ClNO3
Molecular Weight275.78 g/mol
Exact Mass275.13
IUPAC Name1-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
SMILESCOc1cc(OC)cc(C(O)CNC(C)C)c1.Cl
InChIInChI=1S/C13H21NO3.ClH/c1-9(2)14-8-13(15)10-5-11(16-3)7-12(6-10)17-4;/h5-7,9,13-15H,8H2,1-4H3;1H
InChIKeyAEBRLCWRLBMMLC-UHFFFAOYSA-N
XLogP2.16
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(propan-2-ylamino)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 62773539
1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)ethanol
CID 82315829
2-(cyclopentylamino)-1-(3,5-dimethoxyphenyl)ethanol
CID 110922411
1-(3,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol
CID 62773929
1-(3,5-dimethoxyphenyl)propan-1-ol
CID 42957590
1-(3,5-dimethoxyphenyl)-2-methoxyethanol
CID 79567115
4-[1-hydroxy-2-(propan-2-ylamino)ethyl]-2,6-dimethylphenol
CID 110177993
2-[(5-bromopyrimidin-2-yl)amino]-1-(3,5-dimethoxyphenyl)ethanol
CID 133307863
2-(4-aminophenyl)-N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;hydrochloride
CID 119719526
1-(3-methoxyphenyl)-2-(pentan-2-ylamino)ethanol
CID 78967072
4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]phenol
CID 76959355
6-(3,5-dimethoxyphenyl)-6-hydroxyhexane-2,4-dione
CID 10778147

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)ethanol;hydrochloride?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)ethanol;hydrochloride (CID 157085885) is 1-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)ethanol;hydrochloride.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)ethanol;hydrochloride?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)ethanol;hydrochloride is COc1cc(OC)cc(C(O)CNC(C)C)c1.Cl.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)ethanol;hydrochloride?
The InChIKey is AEBRLCWRLBMMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3.ClH/c1-9(2)14-8-13(15)10-5-11(16-3)7-12(6-10)17-4;/h5-7,9,13-15H,8H2,1-4H3;1H.
What are the key properties of 1-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)ethanol;hydrochloride?
1-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)ethanol;hydrochloride has a molecular weight of 275.78 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)ethanol;hydrochloride is sourced from PubChem (CID 157085885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).