2-(4-methoxyanilino)-3,5-dimethylhexan-1-ol

C15H25NO2 — CID 114201074

IUPAC2-(4-methoxyanilino)-3,5-dimethylhexan-1-ol
SMILESCOc1ccc(NC(CO)C(C)CC(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-11(2)9-12(3)15(10-17)16-13-5-7-14(18-4)8-6-13/h5-8,11-12,15-17H,9-10H2,1-4H3
InChIKeyDPEHMAWJILSUKZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.15
Rot. Bonds7

About 2-(4-methoxyanilino)-3,5-dimethylhexan-1-ol

2-(4-methoxyanilino)-3,5-dimethylhexan-1-ol (PubChem CID 114201074) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-3,5-dimethylhexan-1-ol.

Molecular Properties

Compound Name2-(4-methoxyanilino)-3,5-dimethylhexan-1-ol
PubChem CID114201074
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(4-methoxyanilino)-3,5-dimethylhexan-1-ol
SMILESCOc1ccc(NC(CO)C(C)CC(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-11(2)9-12(3)15(10-17)16-13-5-7-14(18-4)8-6-13/h5-8,11-12,15-17H,9-10H2,1-4H3
InChIKeyDPEHMAWJILSUKZ-UHFFFAOYSA-N
XLogP3.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyanilino)-3,5-dimethylhexanamide
CID 114200888
(4R)-4-(4-methoxyanilino)-6-methylheptan-2-one
CID 11425205
1-N,2-N-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine
CID 68527948
3-(4-chlorophenyl)-3-(4-methoxyanilino)-2-methylpropan-1-ol
CID 72751636
(2S,3R)-2-butyl-3-(4-methoxyanilino)octan-1-ol
CID 11415574
4-methoxy-2-(4-methoxyanilino)-4-methylpentan-1-ol
CID 106676177
2-(2-fluoroanilino)-3,5-dimethylhexan-1-ol
CID 114201083
2-[1-(4-methoxyphenyl)ethylamino]-4-methylpentan-1-ol
CID 61246097
4-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
CID 43508755
N-(difluoromethyl)-4-methoxyaniline
CID 118609343
5-(4-methoxyanilino)-7-methylnon-8-en-1-ol
CID 102336379
3-amino-2-(4-methoxyphenoxy)-5-methylhexan-1-ol
CID 114357961

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-3,5-dimethylhexan-1-ol?
The IUPAC name of 2-(4-methoxyanilino)-3,5-dimethylhexan-1-ol (CID 114201074) is 2-(4-methoxyanilino)-3,5-dimethylhexan-1-ol.
What is the SMILES notation for 2-(4-methoxyanilino)-3,5-dimethylhexan-1-ol?
The canonical SMILES for 2-(4-methoxyanilino)-3,5-dimethylhexan-1-ol is COc1ccc(NC(CO)C(C)CC(C)C)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-3,5-dimethylhexan-1-ol?
The InChIKey is DPEHMAWJILSUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11(2)9-12(3)15(10-17)16-13-5-7-14(18-4)8-6-13/h5-8,11-12,15-17H,9-10H2,1-4H3.
What are the key properties of 2-(4-methoxyanilino)-3,5-dimethylhexan-1-ol?
2-(4-methoxyanilino)-3,5-dimethylhexan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-3,5-dimethylhexan-1-ol is sourced from PubChem (CID 114201074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).