2-[3-methyl-N-(2-methylpropyl)anilino]ethanol

C13H21NO — CID 91509745

IUPAC2-[3-methyl-N-(2-methylpropyl)anilino]ethanol
SMILESCc1cccc(N(CCO)CC(C)C)c1
InChIInChI=1S/C13H21NO/c1-11(2)10-14(7-8-15)13-6-4-5-12(3)9-13/h4-6,9,11,15H,7-8,10H2,1-3H3
InChIKeyVQLWCNBYXFRNKO-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.45
Rot. Bonds5

About 2-[3-methyl-N-(2-methylpropyl)anilino]ethanol

2-[3-methyl-N-(2-methylpropyl)anilino]ethanol (PubChem CID 91509745) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-[3-methyl-N-(2-methylpropyl)anilino]ethanol.

Molecular Properties

Compound Name2-[3-methyl-N-(2-methylpropyl)anilino]ethanol
PubChem CID91509745
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-[3-methyl-N-(2-methylpropyl)anilino]ethanol
SMILESCc1cccc(N(CCO)CC(C)C)c1
InChIInChI=1S/C13H21NO/c1-11(2)10-14(7-8-15)13-6-4-5-12(3)9-13/h4-6,9,11,15H,7-8,10H2,1-3H3
InChIKeyVQLWCNBYXFRNKO-UHFFFAOYSA-N
XLogP2.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol
CID 143917087
ethane;2-(N-ethyl-3-methylanilino)ethanol
CID 142945476
2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol
CID 67646691
2-[N-[2-(2-hydroxyethoxy)ethyl]-3-methylanilino]ethanol
CID 54440196
dimethyl(phenyl)phosphane;2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol
CID 118588489
N-(2-hydroxyethyl)-N-(3-methylphenyl)nitramide
CID 70276550
3-[N-(2,2-difluoroethyl)-3-methylanilino]propanoic acid
CID 154398395
CID 138691667
CID 138691667
N,N-dibutyl-3-methylaniline
CID 15332677
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
3-[3-fluoro-N-(2-methylpropyl)anilino]propanoic acid
CID 82319254
2-[3-(aminomethyl)-N-(2-hydroxyethyl)anilino]ethanol
CID 102813585

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-N-(2-methylpropyl)anilino]ethanol?
The IUPAC name of 2-[3-methyl-N-(2-methylpropyl)anilino]ethanol (CID 91509745) is 2-[3-methyl-N-(2-methylpropyl)anilino]ethanol.
What is the SMILES notation for 2-[3-methyl-N-(2-methylpropyl)anilino]ethanol?
The canonical SMILES for 2-[3-methyl-N-(2-methylpropyl)anilino]ethanol is Cc1cccc(N(CCO)CC(C)C)c1.
What is the InChIKey of 2-[3-methyl-N-(2-methylpropyl)anilino]ethanol?
The InChIKey is VQLWCNBYXFRNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11(2)10-14(7-8-15)13-6-4-5-12(3)9-13/h4-6,9,11,15H,7-8,10H2,1-3H3.
What are the key properties of 2-[3-methyl-N-(2-methylpropyl)anilino]ethanol?
2-[3-methyl-N-(2-methylpropyl)anilino]ethanol has a molecular weight of 207.32 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-N-(2-methylpropyl)anilino]ethanol is sourced from PubChem (CID 91509745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).