4-methoxy-2-(3-methoxyanilino)-2,4-dimethylpentan-1-ol

C15H25NO3 — CID 61050466

IUPAC4-methoxy-2-(3-methoxyanilino)-2,4-dimethylpentan-1-ol
SMILESCOc1cccc(NC(C)(CO)CC(C)(C)OC)c1
InChIInChI=1S/C15H25NO3/c1-14(2,19-5)10-15(3,11-17)16-12-7-6-8-13(9-12)18-4/h6-9,16-17H,10-11H2,1-5H3
InChIKeyKLPKTVDOZGNQTE-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.67
Rot. Bonds7

About 4-methoxy-2-(3-methoxyanilino)-2,4-dimethylpentan-1-ol

4-methoxy-2-(3-methoxyanilino)-2,4-dimethylpentan-1-ol (PubChem CID 61050466) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-methoxy-2-(3-methoxyanilino)-2,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name4-methoxy-2-(3-methoxyanilino)-2,4-dimethylpentan-1-ol
PubChem CID61050466
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name4-methoxy-2-(3-methoxyanilino)-2,4-dimethylpentan-1-ol
SMILESCOc1cccc(NC(C)(CO)CC(C)(C)OC)c1
InChIInChI=1S/C15H25NO3/c1-14(2,19-5)10-15(3,11-17)16-12-7-6-8-13(9-12)18-4/h6-9,16-17H,10-11H2,1-5H3
InChIKeyKLPKTVDOZGNQTE-UHFFFAOYSA-N
XLogP2.67
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyanilino)-2-methylheptan-1-ol
CID 80558936
4-methoxy-2-(2-methoxyanilino)-2,4-dimethylpentan-1-ol
CID 61050474
2-N-(3-methoxyphenyl)-2,4-dimethylpentane-1,2-diamine
CID 65377532
3-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]benzoic acid
CID 102823266
2-(4-chlorophenyl)-2-(3-methoxyanilino)butan-1-ol
CID 61049075
N'-(1-hydroxy-2-methylpropan-2-yl)-N-(3-methoxyphenyl)oxamide
CID 44999402
2-(3-methoxyanilino)-2-phenylpropanamide
CID 60990885
2-(3-methoxyanilino)-2,3-dimethylbutanenitrile
CID 60990481
ethane;N-ethyl-3-methoxyaniline
CID 142222302
2-(3-fluorophenyl)-2-(3-methoxyanilino)butan-1-ol
CID 114872860
3-amino-N-(3-methoxyphenyl)-3-methylbutanamide
CID 64683747
N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806261

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(3-methoxyanilino)-2,4-dimethylpentan-1-ol?
The IUPAC name of 4-methoxy-2-(3-methoxyanilino)-2,4-dimethylpentan-1-ol (CID 61050466) is 4-methoxy-2-(3-methoxyanilino)-2,4-dimethylpentan-1-ol.
What is the SMILES notation for 4-methoxy-2-(3-methoxyanilino)-2,4-dimethylpentan-1-ol?
The canonical SMILES for 4-methoxy-2-(3-methoxyanilino)-2,4-dimethylpentan-1-ol is COc1cccc(NC(C)(CO)CC(C)(C)OC)c1.
What is the InChIKey of 4-methoxy-2-(3-methoxyanilino)-2,4-dimethylpentan-1-ol?
The InChIKey is KLPKTVDOZGNQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-14(2,19-5)10-15(3,11-17)16-12-7-6-8-13(9-12)18-4/h6-9,16-17H,10-11H2,1-5H3.
What are the key properties of 4-methoxy-2-(3-methoxyanilino)-2,4-dimethylpentan-1-ol?
4-methoxy-2-(3-methoxyanilino)-2,4-dimethylpentan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(3-methoxyanilino)-2,4-dimethylpentan-1-ol is sourced from PubChem (CID 61050466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).