4-anilino-3-(methylamino)butan-1-ol

C11H18N2O — CID 13023607

IUPAC4-anilino-3-(methylamino)butan-1-ol
SMILESCNC(CCO)CNc1ccccc1
InChIInChI=1S/C11H18N2O/c1-12-11(7-8-14)9-13-10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3
InChIKeyAIBOXGBLHQZDGN-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.07
Rot. Bonds6

About 4-anilino-3-(methylamino)butan-1-ol

4-anilino-3-(methylamino)butan-1-ol (PubChem CID 13023607) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-anilino-3-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-anilino-3-(methylamino)butan-1-ol
PubChem CID13023607
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-anilino-3-(methylamino)butan-1-ol
SMILESCNC(CCO)CNc1ccccc1
InChIInChI=1S/C11H18N2O/c1-12-11(7-8-14)9-13-10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3
InChIKeyAIBOXGBLHQZDGN-UHFFFAOYSA-N
XLogP1.07
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-bis(4-aminoanilino)butan-1-ol
CID 19389319
2-fluoro-N'-phenylpropane-1,3-diamine
CID 105433807
4-benzylsulfinyl-3-(methylamino)butan-1-ol
CID 64898646
1-anilino-3,3-dimethylbutan-2-ol
CID 10607819
1-N,2-N-diphenyldodecane-1,2-diamine
CID 10784226
N,N'-diphenylmethanediamine;ethane-1,2-diol
CID 160711297
3-(methylamino)-4-(2-methylphenyl)sulfanylbutan-1-ol
CID 64927552
N-(2-bromopropyl)aniline
CID 13183607
1-amino-2-anilinoethanol
CID 54286676
4-(2-fluorophenyl)sulfonyl-3-(methylamino)butan-1-ol
CID 64897786
3-amino-2-(anilinomethyl)butanoic acid
CID 22626953
1-anilinoheptan-2-ol
CID 114998464

Frequently Asked Questions

What is the IUPAC name of 4-anilino-3-(methylamino)butan-1-ol?
The IUPAC name of 4-anilino-3-(methylamino)butan-1-ol (CID 13023607) is 4-anilino-3-(methylamino)butan-1-ol.
What is the SMILES notation for 4-anilino-3-(methylamino)butan-1-ol?
The canonical SMILES for 4-anilino-3-(methylamino)butan-1-ol is CNC(CCO)CNc1ccccc1.
What is the InChIKey of 4-anilino-3-(methylamino)butan-1-ol?
The InChIKey is AIBOXGBLHQZDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-12-11(7-8-14)9-13-10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3.
What are the key properties of 4-anilino-3-(methylamino)butan-1-ol?
4-anilino-3-(methylamino)butan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-3-(methylamino)butan-1-ol is sourced from PubChem (CID 13023607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).