2-(N-methylanilino)butane-1,4-diol

C11H17NO2 — CID 19050625

IUPAC2-(N-methylanilino)butane-1,4-diol
SMILESCN(c1ccccc1)C(CO)CCO
InChIInChI=1S/C11H17NO2/c1-12(11(9-14)7-8-13)10-5-3-2-4-6-10/h2-6,11,13-14H,7-9H2,1H3
InChIKeyRHAMHEHZEKQGCB-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.87
Rot. Bonds5

About 2-(N-methylanilino)butane-1,4-diol

2-(N-methylanilino)butane-1,4-diol (PubChem CID 19050625) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-(N-methylanilino)butane-1,4-diol.

Molecular Properties

Compound Name2-(N-methylanilino)butane-1,4-diol
PubChem CID19050625
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-(N-methylanilino)butane-1,4-diol
SMILESCN(c1ccccc1)C(CO)CCO
InChIInChI=1S/C11H17NO2/c1-12(11(9-14)7-8-13)10-5-3-2-4-6-10/h2-6,11,13-14H,7-9H2,1H3
InChIKeyRHAMHEHZEKQGCB-UHFFFAOYSA-N
XLogP0.87
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(dibenzylamino)butane-1,4-diol
CID 122547944
3-(N-phenylanilino)butan-1-ol
CID 67777000
11-hydroxy-2-(N-methylanilino)undecanoic acid
CID 166002008
(1S)-1-(N-ethylanilino)propane-1,3-diol
CID 124514584
N,N-dimethylaniline;methanol
CID 143205399
N,N-dimethylaniline
CID 70392672
(2R,3R)-2,3-diphenylpentane-1,5-diol
CID 102125969
2-(4-methoxy-N-(4-methoxyphenyl)anilino)butane-1,4-diol
CID 70271768
3-(N-methylanilino)butanoic acid
CID 72755664
1-N,1-N'-dimethyl-1-N,1-N'-diphenylhexane-1,1-diamine
CID 165044391
N,N'-dimethyl-N,N',1,3-tetraphenylpropane-1,3-diamine
CID 20668858
3-(N-methylanilino)hex-5-ynenitrile
CID 87071951

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylanilino)butane-1,4-diol?
The IUPAC name of 2-(N-methylanilino)butane-1,4-diol (CID 19050625) is 2-(N-methylanilino)butane-1,4-diol.
What is the SMILES notation for 2-(N-methylanilino)butane-1,4-diol?
The canonical SMILES for 2-(N-methylanilino)butane-1,4-diol is CN(c1ccccc1)C(CO)CCO.
What is the InChIKey of 2-(N-methylanilino)butane-1,4-diol?
The InChIKey is RHAMHEHZEKQGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-12(11(9-14)7-8-13)10-5-3-2-4-6-10/h2-6,11,13-14H,7-9H2,1H3.
What are the key properties of 2-(N-methylanilino)butane-1,4-diol?
2-(N-methylanilino)butane-1,4-diol has a molecular weight of 195.26 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylanilino)butane-1,4-diol is sourced from PubChem (CID 19050625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).