1-(3-methylphenyl)-2-(propan-2-ylamino)ethanol

C12H19NO — CID 59373811

IUPAC1-(3-methylphenyl)-2-(propan-2-ylamino)ethanol
SMILESCc1cccc(C(O)CNC(C)C)c1
InChIInChI=1S/C12H19NO/c1-9(2)13-8-12(14)11-6-4-5-10(3)7-11/h4-7,9,12-14H,8H2,1-3H3
InChIKeyVHPYXWIPYRLYSB-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.03
Rot. Bonds4

About 1-(3-methylphenyl)-2-(propan-2-ylamino)ethanol

1-(3-methylphenyl)-2-(propan-2-ylamino)ethanol (PubChem CID 59373811) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(3-methylphenyl)-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(3-methylphenyl)-2-(propan-2-ylamino)ethanol
PubChem CID59373811
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(3-methylphenyl)-2-(propan-2-ylamino)ethanol
SMILESCc1cccc(C(O)CNC(C)C)c1
InChIInChI=1S/C12H19NO/c1-9(2)13-8-12(14)11-6-4-5-10(3)7-11/h4-7,9,12-14H,8H2,1-3H3
InChIKeyVHPYXWIPYRLYSB-UHFFFAOYSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-2-(propan-2-ylamino)ethanol?
The IUPAC name of 1-(3-methylphenyl)-2-(propan-2-ylamino)ethanol (CID 59373811) is 1-(3-methylphenyl)-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for 1-(3-methylphenyl)-2-(propan-2-ylamino)ethanol?
The canonical SMILES for 1-(3-methylphenyl)-2-(propan-2-ylamino)ethanol is Cc1cccc(C(O)CNC(C)C)c1.
What is the InChIKey of 1-(3-methylphenyl)-2-(propan-2-ylamino)ethanol?
The InChIKey is VHPYXWIPYRLYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9(2)13-8-12(14)11-6-4-5-10(3)7-11/h4-7,9,12-14H,8H2,1-3H3.
What are the key properties of 1-(3-methylphenyl)-2-(propan-2-ylamino)ethanol?
1-(3-methylphenyl)-2-(propan-2-ylamino)ethanol has a molecular weight of 193.29 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 59373811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).