methylamino-(4-methylanilino)methanol

C9H14N2O — CID 166978175

IUPACmethylamino-(4-methylanilino)methanol
SMILESCNC(O)Nc1ccc(C)cc1
InChIInChI=1S/C9H14N2O/c1-7-3-5-8(6-4-7)11-9(12)10-2/h3-6,9-12H,1-2H3
InChIKeyJTTLAWCDFHAMCO-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.90
Rot. Bonds3

About methylamino-(4-methylanilino)methanol

methylamino-(4-methylanilino)methanol (PubChem CID 166978175) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is methylamino-(4-methylanilino)methanol.

Molecular Properties

Compound Namemethylamino-(4-methylanilino)methanol
PubChem CID166978175
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Namemethylamino-(4-methylanilino)methanol
SMILESCNC(O)Nc1ccc(C)cc1
InChIInChI=1S/C9H14N2O/c1-7-3-5-8(6-4-7)11-9(12)10-2/h3-6,9-12H,1-2H3
InChIKeyJTTLAWCDFHAMCO-UHFFFAOYSA-N
XLogP0.90
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N'-bis(4-methylphenyl)ethane-1,1-diamine
CID 87484866
cyclopropyl-(4-methylanilino)methanol
CID 89300547
N-(difluoromethyl)-4-methylaniline;ethane
CID 170790266
[4-bromo-3-(trifluoromethyl)anilino]-(4-methylanilino)methanol
CID 178016795
diethyl-bis(4-methylanilino)phosphanium
CID 132582432
N-methylmethanamine;1,4-xylene
CID 66760370
2,2-dimethyl-3-(4-methylanilino)-1,3-diphenylpropan-1-ol
CID 607318
N,4-dimethylaniline;ethane
CID 90758225
N,4-dimethylaniline;methane
CID 159702289
dimethyl 2-(4-methylanilino)propanedioate
CID 13331494
N-(1-methoxyethyl)-4-methylaniline
CID 174872064
N-(4-methylphenyl)acetamide
CID 7684

Frequently Asked Questions

What is the IUPAC name of methylamino-(4-methylanilino)methanol?
The IUPAC name of methylamino-(4-methylanilino)methanol (CID 166978175) is methylamino-(4-methylanilino)methanol.
What is the SMILES notation for methylamino-(4-methylanilino)methanol?
The canonical SMILES for methylamino-(4-methylanilino)methanol is CNC(O)Nc1ccc(C)cc1.
What is the InChIKey of methylamino-(4-methylanilino)methanol?
The InChIKey is JTTLAWCDFHAMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7-3-5-8(6-4-7)11-9(12)10-2/h3-6,9-12H,1-2H3.
What are the key properties of methylamino-(4-methylanilino)methanol?
methylamino-(4-methylanilino)methanol has a molecular weight of 166.22 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino-(4-methylanilino)methanol is sourced from PubChem (CID 166978175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).