3-[2-[methyl(propan-2-yl)amino]ethyl]phenol

C12H19NO — CID 167492179

IUPAC3-[2-[methyl(propan-2-yl)amino]ethyl]phenol
SMILESCC(C)N(C)CCc1cccc(O)c1
InChIInChI=1S/C12H19NO/c1-10(2)13(3)8-7-11-5-4-6-12(14)9-11/h4-6,9-10,14H,7-8H2,1-3H3
InChIKeyJGFPQAZPCIPVNO-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.27
Rot. Bonds4

About 3-[2-[methyl(propan-2-yl)amino]ethyl]phenol

3-[2-[methyl(propan-2-yl)amino]ethyl]phenol (PubChem CID 167492179) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-[2-[methyl(propan-2-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name3-[2-[methyl(propan-2-yl)amino]ethyl]phenol
PubChem CID167492179
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-[2-[methyl(propan-2-yl)amino]ethyl]phenol
SMILESCC(C)N(C)CCc1cccc(O)c1
InChIInChI=1S/C12H19NO/c1-10(2)13(3)8-7-11-5-4-6-12(14)9-11/h4-6,9-10,14H,7-8H2,1-3H3
InChIKeyJGFPQAZPCIPVNO-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 87468312
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3-[2-[butyl-[2-(3-hydroxyphenyl)ethyl]amino]ethyl]phenol
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3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol
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CID 23050674
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CID 110667288
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CID 169297924
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CID 52911550
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CID 3026690
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Frequently Asked Questions

What is the IUPAC name of 3-[2-[methyl(propan-2-yl)amino]ethyl]phenol?
The IUPAC name of 3-[2-[methyl(propan-2-yl)amino]ethyl]phenol (CID 167492179) is 3-[2-[methyl(propan-2-yl)amino]ethyl]phenol.
What is the SMILES notation for 3-[2-[methyl(propan-2-yl)amino]ethyl]phenol?
The canonical SMILES for 3-[2-[methyl(propan-2-yl)amino]ethyl]phenol is CC(C)N(C)CCc1cccc(O)c1.
What is the InChIKey of 3-[2-[methyl(propan-2-yl)amino]ethyl]phenol?
The InChIKey is JGFPQAZPCIPVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10(2)13(3)8-7-11-5-4-6-12(14)9-11/h4-6,9-10,14H,7-8H2,1-3H3.
What are the key properties of 3-[2-[methyl(propan-2-yl)amino]ethyl]phenol?
3-[2-[methyl(propan-2-yl)amino]ethyl]phenol has a molecular weight of 193.29 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[methyl(propan-2-yl)amino]ethyl]phenol is sourced from PubChem (CID 167492179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).