1-(3,5-dimethylanilino)-3-(4-methylphenoxy)propan-2-ol

C18H23NO2 — CID 60720370

IUPAC1-(3,5-dimethylanilino)-3-(4-methylphenoxy)propan-2-ol
SMILESCc1ccc(OCC(O)CNc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C18H23NO2/c1-13-4-6-18(7-5-13)21-12-17(20)11-19-16-9-14(2)8-15(3)10-16/h4-10,17,19-20H,11-12H2,1-3H3
InChIKeyVLCDGICOAIRADQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.46
Rot. Bonds6

About 1-(3,5-dimethylanilino)-3-(4-methylphenoxy)propan-2-ol

1-(3,5-dimethylanilino)-3-(4-methylphenoxy)propan-2-ol (PubChem CID 60720370) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(3,5-dimethylanilino)-3-(4-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylanilino)-3-(4-methylphenoxy)propan-2-ol
PubChem CID60720370
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(3,5-dimethylanilino)-3-(4-methylphenoxy)propan-2-ol
SMILESCc1ccc(OCC(O)CNc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C18H23NO2/c1-13-4-6-18(7-5-13)21-12-17(20)11-19-16-9-14(2)8-15(3)10-16/h4-10,17,19-20H,11-12H2,1-3H3
InChIKeyVLCDGICOAIRADQ-UHFFFAOYSA-N
XLogP3.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenoxy)-3-(3-fluoro-5-methylanilino)propan-2-ol
CID 79044447
3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]benzonitrile
CID 60721678
(2R)-1-(3,4-dimethylanilino)-3-[4-[(2R)-3-(3,4-dimethylanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1362683
1-(4-fluorophenoxy)-3-(3-methylanilino)propan-2-ol
CID 60719889
1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 16800318
1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 16812220
1-[4-[2-hydroxy-3-[(4-methylphenyl)methylamino]propoxy]phenoxy]-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 19133404
1-(4-bromophenoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol
CID 60900397
(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1377310
1-(3-amino-5-methylanilino)-3-methoxypropan-2-ol
CID 112647844
1-anilino-3-(4-methoxyphenoxy)propan-2-ol
CID 45153561
1-(2-butoxyethoxy)-3-(3,5-dimethylanilino)propan-2-ol
CID 60901639

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylanilino)-3-(4-methylphenoxy)propan-2-ol?
The IUPAC name of 1-(3,5-dimethylanilino)-3-(4-methylphenoxy)propan-2-ol (CID 60720370) is 1-(3,5-dimethylanilino)-3-(4-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylanilino)-3-(4-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-(3,5-dimethylanilino)-3-(4-methylphenoxy)propan-2-ol is Cc1ccc(OCC(O)CNc2cc(C)cc(C)c2)cc1.
What is the InChIKey of 1-(3,5-dimethylanilino)-3-(4-methylphenoxy)propan-2-ol?
The InChIKey is VLCDGICOAIRADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13-4-6-18(7-5-13)21-12-17(20)11-19-16-9-14(2)8-15(3)10-16/h4-10,17,19-20H,11-12H2,1-3H3.
What are the key properties of 1-(3,5-dimethylanilino)-3-(4-methylphenoxy)propan-2-ol?
1-(3,5-dimethylanilino)-3-(4-methylphenoxy)propan-2-ol has a molecular weight of 285.39 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylanilino)-3-(4-methylphenoxy)propan-2-ol is sourced from PubChem (CID 60720370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).