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

C13H22N2O2 — CID 115378094

IUPAC1-[3-(dimethylamino)-4-methylanilino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1ccc(C)c(N(C)C)c1
InChIInChI=1S/C13H22N2O2/c1-10-5-6-11(7-13(10)15(2)3)14-8-12(16)9-17-4/h5-7,12,14,16H,8-9H2,1-4H3
InChIKeyLNFORFINXAHCCI-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.48
Rot. Bonds6

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

1-[3-(dimethylamino)-4-methylanilino]-3-methoxypropan-2-ol (PubChem CID 115378094) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[3-(dimethylamino)-4-methylanilino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[3-(dimethylamino)-4-methylanilino]-3-methoxypropan-2-ol
PubChem CID115378094
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[3-(dimethylamino)-4-methylanilino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1ccc(C)c(N(C)C)c1
InChIInChI=1S/C13H22N2O2/c1-10-5-6-11(7-13(10)15(2)3)14-8-12(16)9-17-4/h5-7,12,14,16H,8-9H2,1-4H3
InChIKeyLNFORFINXAHCCI-UHFFFAOYSA-N
XLogP1.48
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(dimethylamino)-4-methylanilino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990318
1-[3-(dimethylamino)-4-methylanilino]-3-(2-ethoxyethoxy)propan-2-ol
CID 115378136
1-(4-amino-3-methylanilino)-3-methoxypropan-2-ol
CID 23104377
methyl 3-[3-(dimethylamino)-4-methylanilino]-2-methylpropanoate
CID 113297784
(2R)-1-methoxy-3-(4-methylanilino)propan-2-ol
CID 1078645
1-[3-(dimethylamino)-4-methylanilino]-3-pyrazol-1-ylpropan-2-ol
CID 115378206
3-N,3-N,4-trimethyl-1-N-(2-phenylpropyl)benzene-1,3-diamine
CID 115376642
2-[3-(dimethylamino)-4-methylanilino]-1-(4-fluorophenyl)ethanol
CID 115377997
1-(3-fluoro-4-methylanilino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989211
1-methoxy-3-(3-methyl-4-nitroanilino)propan-2-ol
CID 56791636
1-(4-chloro-3-methoxyanilino)-3-methoxypropan-2-ol
CID 107621631
1-(3-fluoroanilino)-3-methoxypropan-2-ol
CID 63928582

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)-4-methylanilino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[3-(dimethylamino)-4-methylanilino]-3-methoxypropan-2-ol (CID 115378094) is 1-[3-(dimethylamino)-4-methylanilino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[3-(dimethylamino)-4-methylanilino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[3-(dimethylamino)-4-methylanilino]-3-methoxypropan-2-ol is COCC(O)CNc1ccc(C)c(N(C)C)c1.
What is the InChIKey of 1-[3-(dimethylamino)-4-methylanilino]-3-methoxypropan-2-ol?
The InChIKey is LNFORFINXAHCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10-5-6-11(7-13(10)15(2)3)14-8-12(16)9-17-4/h5-7,12,14,16H,8-9H2,1-4H3.
What are the key properties of 1-[3-(dimethylamino)-4-methylanilino]-3-methoxypropan-2-ol?
1-[3-(dimethylamino)-4-methylanilino]-3-methoxypropan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)-4-methylanilino]-3-methoxypropan-2-ol is sourced from PubChem (CID 115378094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).