1-[(3,4-dimethylphenyl)methyl-methylamino]-3-methoxypropan-2-ol

C14H23NO2 — CID 62016738

IUPAC1-[(3,4-dimethylphenyl)methyl-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)Cc1ccc(C)c(C)c1
InChIInChI=1S/C14H23NO2/c1-11-5-6-13(7-12(11)2)8-15(3)9-14(16)10-17-4/h5-7,14,16H,8-10H2,1-4H3
InChIKeyMLZFVJHQVGEUKR-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.74
Rot. Bonds6

About 1-[(3,4-dimethylphenyl)methyl-methylamino]-3-methoxypropan-2-ol

1-[(3,4-dimethylphenyl)methyl-methylamino]-3-methoxypropan-2-ol (PubChem CID 62016738) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-[(3,4-dimethylphenyl)methyl-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(3,4-dimethylphenyl)methyl-methylamino]-3-methoxypropan-2-ol
PubChem CID62016738
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-[(3,4-dimethylphenyl)methyl-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)Cc1ccc(C)c(C)c1
InChIInChI=1S/C14H23NO2/c1-11-5-6-13(7-12(11)2)8-15(3)9-14(16)10-17-4/h5-7,14,16H,8-10H2,1-4H3
InChIKeyMLZFVJHQVGEUKR-UHFFFAOYSA-N
XLogP1.74
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chloro-3-methylphenyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 75484188
1-methoxy-3-[methyl-[(3-methylphenyl)methyl]amino]propan-2-ol
CID 62015545
1-[(3-chloro-4-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 103883811
5-[(3,4-dimethylphenyl)methyl-methylamino]-4-hydroxypentanoic acid
CID 115122727
1-methoxy-3-[methyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 62016328
1-[[3-(3-aminoprop-1-ynyl)phenyl]methyl-methylamino]-3-methoxypropan-2-ol
CID 54993979
1-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-3-methoxypropan-2-ol
CID 62464336
1-methoxy-3-[methyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]propan-2-ol
CID 55046573
1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]-3-phenoxypropan-2-ol
CID 132777879
1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 110878823
[3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]phenyl]-piperidin-1-ylmethanone
CID 111432744
1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-methylamino]-3-(4-methoxyphenoxy)propan-2-ol
CID 132778130

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylphenyl)methyl-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(3,4-dimethylphenyl)methyl-methylamino]-3-methoxypropan-2-ol (CID 62016738) is 1-[(3,4-dimethylphenyl)methyl-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(3,4-dimethylphenyl)methyl-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(3,4-dimethylphenyl)methyl-methylamino]-3-methoxypropan-2-ol is COCC(O)CN(C)Cc1ccc(C)c(C)c1.
What is the InChIKey of 1-[(3,4-dimethylphenyl)methyl-methylamino]-3-methoxypropan-2-ol?
The InChIKey is MLZFVJHQVGEUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11-5-6-13(7-12(11)2)8-15(3)9-14(16)10-17-4/h5-7,14,16H,8-10H2,1-4H3.
What are the key properties of 1-[(3,4-dimethylphenyl)methyl-methylamino]-3-methoxypropan-2-ol?
1-[(3,4-dimethylphenyl)methyl-methylamino]-3-methoxypropan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethylphenyl)methyl-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 62016738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).