1-[3-(dimethylamino)-4-methylanilino]-3-(1-methoxypropan-2-yloxy)propan-2-ol

C16H28N2O3 — CID 106990318

IUPAC1-[3-(dimethylamino)-4-methylanilino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CNc1ccc(C)c(N(C)C)c1
InChIInChI=1S/C16H28N2O3/c1-12-6-7-14(8-16(12)18(3)4)17-9-15(19)11-21-13(2)10-20-5/h6-8,13,15,17,19H,9-11H2,1-5H3
InChIKeyHOGHWLMVZWZXKT-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.89
Rot. Bonds9

About 1-[3-(dimethylamino)-4-methylanilino]-3-(1-methoxypropan-2-yloxy)propan-2-ol

1-[3-(dimethylamino)-4-methylanilino]-3-(1-methoxypropan-2-yloxy)propan-2-ol (PubChem CID 106990318) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[3-(dimethylamino)-4-methylanilino]-3-(1-methoxypropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[3-(dimethylamino)-4-methylanilino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
PubChem CID106990318
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[3-(dimethylamino)-4-methylanilino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CNc1ccc(C)c(N(C)C)c1
InChIInChI=1S/C16H28N2O3/c1-12-6-7-14(8-16(12)18(3)4)17-9-15(19)11-21-13(2)10-20-5/h6-8,13,15,17,19H,9-11H2,1-5H3
InChIKeyHOGHWLMVZWZXKT-UHFFFAOYSA-N
XLogP1.89
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(dimethylamino)-4-methylanilino]-3-methoxypropan-2-ol
CID 115378094
1-[3-(dimethylamino)-4-methylanilino]-3-(2-ethoxyethoxy)propan-2-ol
CID 115378136
1-(3-bromo-4-chloroanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990160
methyl 3-[3-(dimethylamino)-4-methylanilino]-2-methylpropanoate
CID 113297784
3-N,3-N,4-trimethyl-1-N-(2-phenylpropyl)benzene-1,3-diamine
CID 115376642
1-(4-amino-3-methylanilino)-3-methoxypropan-2-ol
CID 23104377
1-(2-fluoro-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989282
1-[3-(dimethylamino)-4-methylanilino]-3-pyrazol-1-ylpropan-2-ol
CID 115378206
1-(2,5-dichloroanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989019
2-[3-(dimethylamino)-4-methylanilino]-1-(4-fluorophenyl)ethanol
CID 115377997
(2R)-1-methoxy-3-(4-methylanilino)propan-2-ol
CID 1078645
1-(1-methoxypropan-2-yloxy)-3-(2,4,6-trifluoroanilino)propan-2-ol
CID 106990092

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)-4-methylanilino]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-[3-(dimethylamino)-4-methylanilino]-3-(1-methoxypropan-2-yloxy)propan-2-ol (CID 106990318) is 1-[3-(dimethylamino)-4-methylanilino]-3-(1-methoxypropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-[3-(dimethylamino)-4-methylanilino]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-[3-(dimethylamino)-4-methylanilino]-3-(1-methoxypropan-2-yloxy)propan-2-ol is COCC(C)OCC(O)CNc1ccc(C)c(N(C)C)c1.
What is the InChIKey of 1-[3-(dimethylamino)-4-methylanilino]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The InChIKey is HOGHWLMVZWZXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-12-6-7-14(8-16(12)18(3)4)17-9-15(19)11-21-13(2)10-20-5/h6-8,13,15,17,19H,9-11H2,1-5H3.
What are the key properties of 1-[3-(dimethylamino)-4-methylanilino]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
1-[3-(dimethylamino)-4-methylanilino]-3-(1-methoxypropan-2-yloxy)propan-2-ol has a molecular weight of 296.41 g/mol, XLogP of 1.89, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)-4-methylanilino]-3-(1-methoxypropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 106990318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).