(3-ethylphenyl)-(methylamino)methanol

C10H15NO — CID 91312447

IUPAC(3-ethylphenyl)-(methylamino)methanol
SMILESCCc1cccc(C(O)NC)c1
InChIInChI=1S/C10H15NO/c1-3-8-5-4-6-9(7-8)10(12)11-2/h4-7,10-12H,3H2,1-2H3
InChIKeyUQQHAEHSKJBTSF-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.46
Rot. Bonds3

About (3-ethylphenyl)-(methylamino)methanol

(3-ethylphenyl)-(methylamino)methanol (PubChem CID 91312447) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (3-ethylphenyl)-(methylamino)methanol.

Molecular Properties

Compound Name(3-ethylphenyl)-(methylamino)methanol
PubChem CID91312447
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(3-ethylphenyl)-(methylamino)methanol
SMILESCCc1cccc(C(O)NC)c1
InChIInChI=1S/C10H15NO/c1-3-8-5-4-6-9(7-8)10(12)11-2/h4-7,10-12H,3H2,1-2H3
InChIKeyUQQHAEHSKJBTSF-UHFFFAOYSA-N
XLogP1.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[hydroxy(methylamino)methyl]phenol
CID 14302211
2-(3-ethylphenyl)-N-methylpropan-1-amine
CID 105425624
1-(3-ethylphenyl)-N-methyl-2-propylpentan-1-amine
CID 105018498
1-(3,4-dimethylphenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018579
1-(2,6-dichlorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018696
(1R)-1-(3-ethylphenyl)ethanamine
CID 55277637
1-butan-2-yl-3-ethylbenzene
CID 528681
[3-(dimethylamino)phenyl]-(methylamino)methanol
CID 59725197
1-(3-ethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346411
(3,5-dibromophenyl)-(3-ethylphenyl)methanol
CID 107978572
1-(3-ethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103312595
1-(2,3-dimethylphenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018436

Frequently Asked Questions

What is the IUPAC name of (3-ethylphenyl)-(methylamino)methanol?
The IUPAC name of (3-ethylphenyl)-(methylamino)methanol (CID 91312447) is (3-ethylphenyl)-(methylamino)methanol.
What is the SMILES notation for (3-ethylphenyl)-(methylamino)methanol?
The canonical SMILES for (3-ethylphenyl)-(methylamino)methanol is CCc1cccc(C(O)NC)c1.
What is the InChIKey of (3-ethylphenyl)-(methylamino)methanol?
The InChIKey is UQQHAEHSKJBTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-8-5-4-6-9(7-8)10(12)11-2/h4-7,10-12H,3H2,1-2H3.
What are the key properties of (3-ethylphenyl)-(methylamino)methanol?
(3-ethylphenyl)-(methylamino)methanol has a molecular weight of 165.24 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylphenyl)-(methylamino)methanol is sourced from PubChem (CID 91312447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).