1-(3-methylphenyl)-2-(propylamino)ethanol

C12H19NO — CID 62774312

IUPAC1-(3-methylphenyl)-2-(propylamino)ethanol
SMILESCCCNCC(O)c1cccc(C)c1
InChIInChI=1S/C12H19NO/c1-3-7-13-9-12(14)11-6-4-5-10(2)8-11/h4-6,8,12-14H,3,7,9H2,1-2H3
InChIKeyPQJXTECDTWFIRX-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.03
Rot. Bonds5

About 1-(3-methylphenyl)-2-(propylamino)ethanol

1-(3-methylphenyl)-2-(propylamino)ethanol (PubChem CID 62774312) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(3-methylphenyl)-2-(propylamino)ethanol.

Molecular Properties

Compound Name1-(3-methylphenyl)-2-(propylamino)ethanol
PubChem CID62774312
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(3-methylphenyl)-2-(propylamino)ethanol
SMILESCCCNCC(O)c1cccc(C)c1
InChIInChI=1S/C12H19NO/c1-3-7-13-9-12(14)11-6-4-5-10(2)8-11/h4-6,8,12-14H,3,7,9H2,1-2H3
InChIKeyPQJXTECDTWFIRX-UHFFFAOYSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminoethylamino)-1-(3-methylphenyl)ethanol
CID 21482954
2-[2-(dimethylamino)ethylamino]-1-(3-methylphenyl)ethanol
CID 112501466
1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474
ethane;1-(3-methylphenyl)butan-1-ol
CID 143891671
1-(4-fluoro-3-methylphenyl)-2-(propylamino)ethanol
CID 62772558
2-(3-methylphenyl)-N-propyloctan-1-amine
CID 79416667
N-[2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 62108388
5,5-dimethyl-2-(3-methylphenyl)-N-propylhexan-1-amine
CID 79416848
1-(3-methylphenyl)decan-1-ol
CID 63411280
2-(cyclopropylamino)-1-(3-methylphenyl)ethanol
CID 62774704
4-ethylsulfonyl-2-(3-methylphenyl)-N-propylbutan-1-amine
CID 79417569
(1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol
CID 51681134

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-2-(propylamino)ethanol?
The IUPAC name of 1-(3-methylphenyl)-2-(propylamino)ethanol (CID 62774312) is 1-(3-methylphenyl)-2-(propylamino)ethanol.
What is the SMILES notation for 1-(3-methylphenyl)-2-(propylamino)ethanol?
The canonical SMILES for 1-(3-methylphenyl)-2-(propylamino)ethanol is CCCNCC(O)c1cccc(C)c1.
What is the InChIKey of 1-(3-methylphenyl)-2-(propylamino)ethanol?
The InChIKey is PQJXTECDTWFIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-7-13-9-12(14)11-6-4-5-10(2)8-11/h4-6,8,12-14H,3,7,9H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)-2-(propylamino)ethanol?
1-(3-methylphenyl)-2-(propylamino)ethanol has a molecular weight of 193.29 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-2-(propylamino)ethanol is sourced from PubChem (CID 62774312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).