[1-(3-methylphenyl)ethylamino]methanolate

C10H14NO- — CID 163854725

IUPAC[1-(3-methylphenyl)ethylamino]methanolate
SMILESCc1cccc(C(C)NC[O-])c1
InChIInChI=1S/C10H14NO/c1-8-4-3-5-10(6-8)9(2)11-7-12/h3-6,9,11H,7H2,1-2H3/q-1
InChIKeyOXIWUJBOOOMNJL-UHFFFAOYSA-N
MW164.23 g/mol
LogP0.96
Rot. Bonds3

About [1-(3-methylphenyl)ethylamino]methanolate

[1-(3-methylphenyl)ethylamino]methanolate (PubChem CID 163854725) has the molecular formula C10H14NO- and a molecular weight of 164.23 g/mol. Its IUPAC name is [1-(3-methylphenyl)ethylamino]methanolate.

Molecular Properties

Compound Name[1-(3-methylphenyl)ethylamino]methanolate
PubChem CID163854725
Molecular FormulaC10H14NO-
Molecular Weight164.23 g/mol
Exact Mass164.11
IUPAC Name[1-(3-methylphenyl)ethylamino]methanolate
SMILESCc1cccc(C(C)NC[O-])c1
InChIInChI=1S/C10H14NO/c1-8-4-3-5-10(6-8)9(2)11-7-12/h3-6,9,11H,7H2,1-2H3/q-1
InChIKeyOXIWUJBOOOMNJL-UHFFFAOYSA-N
XLogP0.96
TPSA35.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 50.96
H-Bond Donors ≤ 51
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

(2R)-1-[[(1R)-1-(3-methylphenyl)ethyl]amino]propan-2-ol
CID 93288092
(1R)-1-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81363211
N-[(1S)-1-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine
CID 81364263
N',N'-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]ethane-1,2-diamine
CID 81361227
1-(4-methylphenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 54863165
(1S)-N-(cyclopentylmethyl)-1-(3-methylphenyl)ethanamine
CID 81364259
(1R)-1-(3-methylphenyl)-N-(2-phenylethyl)ethanamine
CID 81364217
N-[(1R)-1-(3-methylphenyl)ethyl]but-3-en-1-amine
CID 81361218
(1R)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81364360
2-methylidene-N-[(1R)-1-(3-methylphenyl)ethyl]butan-1-amine
CID 81361301
3-[[(1R)-1-(3-methylphenyl)ethyl]amino]propanenitrile
CID 81360357
N-[1-(3-methylphenyl)ethyl]hexan-1-amine
CID 43769677

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylphenyl)ethylamino]methanolate?
The IUPAC name of [1-(3-methylphenyl)ethylamino]methanolate (CID 163854725) is [1-(3-methylphenyl)ethylamino]methanolate.
What is the SMILES notation for [1-(3-methylphenyl)ethylamino]methanolate?
The canonical SMILES for [1-(3-methylphenyl)ethylamino]methanolate is Cc1cccc(C(C)NC[O-])c1.
What is the InChIKey of [1-(3-methylphenyl)ethylamino]methanolate?
The InChIKey is OXIWUJBOOOMNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NO/c1-8-4-3-5-10(6-8)9(2)11-7-12/h3-6,9,11H,7H2,1-2H3/q-1.
What are the key properties of [1-(3-methylphenyl)ethylamino]methanolate?
[1-(3-methylphenyl)ethylamino]methanolate has a molecular weight of 164.23 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylphenyl)ethylamino]methanolate is sourced from PubChem (CID 163854725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).