1-(2-amino-4-methoxyanilino)-3-ethylpentan-2-ol

C14H24N2O2 — CID 106284251

IUPAC1-(2-amino-4-methoxyanilino)-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNc1ccc(OC)cc1N
InChIInChI=1S/C14H24N2O2/c1-4-10(5-2)14(17)9-16-13-7-6-11(18-3)8-12(13)15/h6-8,10,14,16-17H,4-5,9,15H2,1-3H3
InChIKeyXXNMSBAUCKBTGU-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.49
Rot. Bonds7

About 1-(2-amino-4-methoxyanilino)-3-ethylpentan-2-ol

1-(2-amino-4-methoxyanilino)-3-ethylpentan-2-ol (PubChem CID 106284251) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(2-amino-4-methoxyanilino)-3-ethylpentan-2-ol.

Molecular Properties

Compound Name1-(2-amino-4-methoxyanilino)-3-ethylpentan-2-ol
PubChem CID106284251
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(2-amino-4-methoxyanilino)-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNc1ccc(OC)cc1N
InChIInChI=1S/C14H24N2O2/c1-4-10(5-2)14(17)9-16-13-7-6-11(18-3)8-12(13)15/h6-8,10,14,16-17H,4-5,9,15H2,1-3H3
InChIKeyXXNMSBAUCKBTGU-UHFFFAOYSA-N
XLogP2.49
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-(2-ethylhexyl)-4-methoxybenzene-1,2-diamine
CID 107819851
2-amino-N-(3-ethyl-2-hydroxypentyl)-5-methoxybenzamide
CID 106284093
1-(2-amino-5-fluoroanilino)-3-ethylpentan-2-ol
CID 106284328
(2S)-N-(2-amino-4-methoxyphenyl)-2-methylbutanamide
CID 40788880
3-ethyl-1-[(7-methoxyisoquinolin-1-yl)amino]pentan-2-ol
CID 106287689
1-[4-amino-2-(trifluoromethyl)anilino]-3-ethylpentan-2-ol
CID 106284327
1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]-3-ethylpentan-2-ol
CID 106284308
1-(2-amino-4-methoxyanilino)-4-methoxy-2-methylbutan-2-ol
CID 114164064
2-hydrazinyl-5-methoxyaniline
CID 119013430
4-amino-3-[(3-ethyl-2-hydroxypentyl)amino]benzenesulfonamide
CID 106284247
2-bromo-N-(3-ethyl-2-hydroxypentyl)-4-methoxybenzamide
CID 111115894
N-(3-ethyl-2-hydroxypentyl)-2-fluoro-4-methoxybenzamide
CID 103658335

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methoxyanilino)-3-ethylpentan-2-ol?
The IUPAC name of 1-(2-amino-4-methoxyanilino)-3-ethylpentan-2-ol (CID 106284251) is 1-(2-amino-4-methoxyanilino)-3-ethylpentan-2-ol.
What is the SMILES notation for 1-(2-amino-4-methoxyanilino)-3-ethylpentan-2-ol?
The canonical SMILES for 1-(2-amino-4-methoxyanilino)-3-ethylpentan-2-ol is CCC(CC)C(O)CNc1ccc(OC)cc1N.
What is the InChIKey of 1-(2-amino-4-methoxyanilino)-3-ethylpentan-2-ol?
The InChIKey is XXNMSBAUCKBTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-10(5-2)14(17)9-16-13-7-6-11(18-3)8-12(13)15/h6-8,10,14,16-17H,4-5,9,15H2,1-3H3.
What are the key properties of 1-(2-amino-4-methoxyanilino)-3-ethylpentan-2-ol?
1-(2-amino-4-methoxyanilino)-3-ethylpentan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 2.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methoxyanilino)-3-ethylpentan-2-ol is sourced from PubChem (CID 106284251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).