4-(3-amino-5-methylanilino)butan-2-ol

C11H18N2O — CID 112647909

IUPAC4-(3-amino-5-methylanilino)butan-2-ol
SMILESCc1cc(N)cc(NCCC(C)O)c1
InChIInChI=1S/C11H18N2O/c1-8-5-10(12)7-11(6-8)13-4-3-9(2)14/h5-7,9,13-14H,3-4,12H2,1-2H3
InChIKeyIMQALTREZNCWGR-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.76
Rot. Bonds4

About 4-(3-amino-5-methylanilino)butan-2-ol

4-(3-amino-5-methylanilino)butan-2-ol (PubChem CID 112647909) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-(3-amino-5-methylanilino)butan-2-ol.

Molecular Properties

Compound Name4-(3-amino-5-methylanilino)butan-2-ol
PubChem CID112647909
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-(3-amino-5-methylanilino)butan-2-ol
SMILESCc1cc(N)cc(NCCC(C)O)c1
InChIInChI=1S/C11H18N2O/c1-8-5-10(12)7-11(6-8)13-4-3-9(2)14/h5-7,9,13-14H,3-4,12H2,1-2H3
InChIKeyIMQALTREZNCWGR-UHFFFAOYSA-N
XLogP1.76
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-methyl-3-N-(3-methylpentyl)benzene-1,3-diamine
CID 178004989
5-methyl-3-N-[2-(3-methylbutoxy)ethyl]benzene-1,3-diamine
CID 112647608
3-N-[2-(dimethylamino)ethyl]-5-methylbenzene-1,3-diamine
CID 112646930
1-(3,5-dimethylanilino)propan-2-ol
CID 60886004
N-[2-(3-amino-5-methylanilino)ethyl]acetamide
CID 59089860
1-(3-amino-5-methylanilino)-3-methoxypropan-2-ol
CID 112647844
2-(3-amino-5-methylanilino)-N-methylethanesulfonamide
CID 106334106
N-(3-amino-5-methylphenyl)-2-hydroxypropanamide
CID 123546045
4-(4-amino-2-fluoroanilino)butan-2-ol
CID 64928841
5-(3-amino-5-propoxyanilino)pentan-2-ol
CID 106119873
(2R)-1-(3-fluoro-5-methylanilino)propan-2-ol
CID 106932274
5-methyl-3-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzene-1,3-diamine
CID 112647815

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-5-methylanilino)butan-2-ol?
The IUPAC name of 4-(3-amino-5-methylanilino)butan-2-ol (CID 112647909) is 4-(3-amino-5-methylanilino)butan-2-ol.
What is the SMILES notation for 4-(3-amino-5-methylanilino)butan-2-ol?
The canonical SMILES for 4-(3-amino-5-methylanilino)butan-2-ol is Cc1cc(N)cc(NCCC(C)O)c1.
What is the InChIKey of 4-(3-amino-5-methylanilino)butan-2-ol?
The InChIKey is IMQALTREZNCWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8-5-10(12)7-11(6-8)13-4-3-9(2)14/h5-7,9,13-14H,3-4,12H2,1-2H3.
What are the key properties of 4-(3-amino-5-methylanilino)butan-2-ol?
4-(3-amino-5-methylanilino)butan-2-ol has a molecular weight of 194.28 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-5-methylanilino)butan-2-ol is sourced from PubChem (CID 112647909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).