1-(ethylamino)-3-(2-methoxyphenyl)propan-2-ol;hydrochloride

C12H20ClNO2 — CID 54609120

IUPAC1-(ethylamino)-3-(2-methoxyphenyl)propan-2-ol;hydrochloride
SMILESCCNCC(O)Cc1ccccc1OC.Cl
InChIInChI=1S/C12H19NO2.ClH/c1-3-13-9-11(14)8-10-6-4-5-7-12(10)15-2;/h4-7,11,13-14H,3,8-9H2,1-2H3;1H
InChIKeyCJNUVHZJWFRMQP-UHFFFAOYSA-N
MW245.75 g/mol
LogP1.63
Rot. Bonds6

About 1-(ethylamino)-3-(2-methoxyphenyl)propan-2-ol;hydrochloride

1-(ethylamino)-3-(2-methoxyphenyl)propan-2-ol;hydrochloride (PubChem CID 54609120) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is 1-(ethylamino)-3-(2-methoxyphenyl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(ethylamino)-3-(2-methoxyphenyl)propan-2-ol;hydrochloride
PubChem CID54609120
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC Name1-(ethylamino)-3-(2-methoxyphenyl)propan-2-ol;hydrochloride
SMILESCCNCC(O)Cc1ccccc1OC.Cl
InChIInChI=1S/C12H19NO2.ClH/c1-3-13-9-11(14)8-10-6-4-5-7-12(10)15-2;/h4-7,11,13-14H,3,8-9H2,1-2H3;1H
InChIKeyCJNUVHZJWFRMQP-UHFFFAOYSA-N
XLogP1.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-3-(methylamino)propan-2-ol
CID 64983172
1-(2-methoxyphenyl)hexan-2-ol
CID 62607835
N-ethyl-5-methoxy-2-[(2-methoxyphenyl)methyl]pentan-1-amine
CID 62514235
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
1-(dimethylamino)-3-(2-methoxyphenyl)propan-2-ol
CID 79088057
1-(2-chlorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 61261227
1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol
CID 63018076
1-(2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 61263658
(2R)-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-2-ol;4,4,4-trifluoro-1-(2-methoxyphenyl)butan-2-ol
CID 158657667
1-(2-methoxyphenyl)-3-methylpentan-2-ol
CID 63018266
1-(2-methoxyphenyl)-3-phenylsulfanylpropan-2-ol
CID 65142108
N-ethyl-2-[(2-methoxyphenyl)methyl]-4-(2-methylpropoxy)butan-1-amine
CID 106456762

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(2-methoxyphenyl)propan-2-ol;hydrochloride?
The IUPAC name of 1-(ethylamino)-3-(2-methoxyphenyl)propan-2-ol;hydrochloride (CID 54609120) is 1-(ethylamino)-3-(2-methoxyphenyl)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(ethylamino)-3-(2-methoxyphenyl)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(ethylamino)-3-(2-methoxyphenyl)propan-2-ol;hydrochloride is CCNCC(O)Cc1ccccc1OC.Cl.
What is the InChIKey of 1-(ethylamino)-3-(2-methoxyphenyl)propan-2-ol;hydrochloride?
The InChIKey is CJNUVHZJWFRMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2.ClH/c1-3-13-9-11(14)8-10-6-4-5-7-12(10)15-2;/h4-7,11,13-14H,3,8-9H2,1-2H3;1H.
What are the key properties of 1-(ethylamino)-3-(2-methoxyphenyl)propan-2-ol;hydrochloride?
1-(ethylamino)-3-(2-methoxyphenyl)propan-2-ol;hydrochloride has a molecular weight of 245.75 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(2-methoxyphenyl)propan-2-ol;hydrochloride is sourced from PubChem (CID 54609120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).