1-(diethylamino)-3-(2,5-dimethoxyanilino)propan-2-ol

C15H26N2O3 — CID 60897898

IUPAC1-(diethylamino)-3-(2,5-dimethoxyanilino)propan-2-ol
SMILESCCN(CC)CC(O)CNc1cc(OC)ccc1OC
InChIInChI=1S/C15H26N2O3/c1-5-17(6-2)11-12(18)10-16-14-9-13(19-3)7-8-15(14)20-4/h7-9,12,16,18H,5-6,10-11H2,1-4H3
InChIKeyDEKAVUVDTLTCMW-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.82
Rot. Bonds9

About 1-(diethylamino)-3-(2,5-dimethoxyanilino)propan-2-ol

1-(diethylamino)-3-(2,5-dimethoxyanilino)propan-2-ol (PubChem CID 60897898) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(diethylamino)-3-(2,5-dimethoxyanilino)propan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-(2,5-dimethoxyanilino)propan-2-ol
PubChem CID60897898
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(diethylamino)-3-(2,5-dimethoxyanilino)propan-2-ol
SMILESCCN(CC)CC(O)CNc1cc(OC)ccc1OC
InChIInChI=1S/C15H26N2O3/c1-5-17(6-2)11-12(18)10-16-14-9-13(19-3)7-8-15(14)20-4/h7-9,12,16,18H,5-6,10-11H2,1-4H3
InChIKeyDEKAVUVDTLTCMW-UHFFFAOYSA-N
XLogP1.82
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethoxyanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60898666
1-chloro-3-[2-(difluoromethoxy)-5-methoxyanilino]propan-2-ol
CID 168639388
2-(diethylamino)-N-(2,5-dimethoxyphenyl)acetamide
CID 11666162
methyl 2-[3-[(3-chloro-2-hydroxypropyl)amino]-4-methoxyphenoxy]acetate
CID 168637947
1-chloro-3-(2-chloro-5-methoxyanilino)propan-2-ol
CID 168636469
1-(2,5-dimethoxyphenyl)-2-[ethyl(2-methylpropyl)amino]ethanol
CID 60969431
1-(4-chloro-2-methylanilino)-3-(diethylamino)propan-2-ol
CID 114255834
2,5-dimethoxy-N-[2-(6-methoxynaphthalen-2-yl)propyl]aniline
CID 54856394
N-(2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28575908
2-[2-(diethylamino)ethylamino]-1-(2,5-dimethoxyphenyl)ethanol
CID 60896421
2-[2-(diethylamino)ethyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111022703
1-[(2,5-dimethoxyanilino)methyl]cyclopentan-1-ol
CID 65210681

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-(2,5-dimethoxyanilino)propan-2-ol?
The IUPAC name of 1-(diethylamino)-3-(2,5-dimethoxyanilino)propan-2-ol (CID 60897898) is 1-(diethylamino)-3-(2,5-dimethoxyanilino)propan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-(2,5-dimethoxyanilino)propan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-(2,5-dimethoxyanilino)propan-2-ol is CCN(CC)CC(O)CNc1cc(OC)ccc1OC.
What is the InChIKey of 1-(diethylamino)-3-(2,5-dimethoxyanilino)propan-2-ol?
The InChIKey is DEKAVUVDTLTCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-5-17(6-2)11-12(18)10-16-14-9-13(19-3)7-8-15(14)20-4/h7-9,12,16,18H,5-6,10-11H2,1-4H3.
What are the key properties of 1-(diethylamino)-3-(2,5-dimethoxyanilino)propan-2-ol?
1-(diethylamino)-3-(2,5-dimethoxyanilino)propan-2-ol has a molecular weight of 282.38 g/mol, XLogP of 1.82, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-(2,5-dimethoxyanilino)propan-2-ol is sourced from PubChem (CID 60897898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).