1-methoxy-3-[methyl-[(3-methylphenyl)methyl]amino]propan-2-ol

C13H21NO2 — CID 62015545

IUPAC1-methoxy-3-[methyl-[(3-methylphenyl)methyl]amino]propan-2-ol
SMILESCOCC(O)CN(C)Cc1cccc(C)c1
InChIInChI=1S/C13H21NO2/c1-11-5-4-6-12(7-11)8-14(2)9-13(15)10-16-3/h4-7,13,15H,8-10H2,1-3H3
InChIKeyCBMKIUNILLVGEA-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.43
Rot. Bonds6

About 1-methoxy-3-[methyl-[(3-methylphenyl)methyl]amino]propan-2-ol

1-methoxy-3-[methyl-[(3-methylphenyl)methyl]amino]propan-2-ol (PubChem CID 62015545) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-methoxy-3-[methyl-[(3-methylphenyl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[methyl-[(3-methylphenyl)methyl]amino]propan-2-ol
PubChem CID62015545
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-methoxy-3-[methyl-[(3-methylphenyl)methyl]amino]propan-2-ol
SMILESCOCC(O)CN(C)Cc1cccc(C)c1
InChIInChI=1S/C13H21NO2/c1-11-5-4-6-12(7-11)8-14(2)9-13(15)10-16-3/h4-7,13,15H,8-10H2,1-3H3
InChIKeyCBMKIUNILLVGEA-UHFFFAOYSA-N
XLogP1.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-[(3-methylphenyl)methyl]amino]propane-1,2-diol
CID 82850825
2-bromo-3-methoxy-N-methyl-N-[(3-methylphenyl)methyl]propan-1-amine
CID 80691818
1-[(3,4-dimethylphenyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 62016738
4-methoxy-1-N-methyl-1-N-[(3-methylphenyl)methyl]butane-1,2-diamine
CID 55080874
1-[(4-chloro-3-methylphenyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 75484188
1-[[3-(3-aminoprop-1-ynyl)phenyl]methyl-methylamino]-3-methoxypropan-2-ol
CID 54993979
4-hydroxy-5-[methyl-[(3-methylphenyl)methyl]amino]pentanoic acid
CID 115122741
[3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]phenyl]-piperidin-1-ylmethanone
CID 111432744
1-methoxy-3-[methyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 62016328
1-[(3-chloro-4-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 103883811
1-[benzyl(methyl)amino]-3-[2-methoxy-5-[[(3-methylphenyl)methylamino]methyl]phenoxy]propan-2-ol
CID 45230857
(2S)-1-[(3-methoxyphenyl)methyl-methylamino]-3-propan-2-yloxypropan-2-ol
CID 95357888

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[methyl-[(3-methylphenyl)methyl]amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[methyl-[(3-methylphenyl)methyl]amino]propan-2-ol (CID 62015545) is 1-methoxy-3-[methyl-[(3-methylphenyl)methyl]amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[methyl-[(3-methylphenyl)methyl]amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[methyl-[(3-methylphenyl)methyl]amino]propan-2-ol is COCC(O)CN(C)Cc1cccc(C)c1.
What is the InChIKey of 1-methoxy-3-[methyl-[(3-methylphenyl)methyl]amino]propan-2-ol?
The InChIKey is CBMKIUNILLVGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-11-5-4-6-12(7-11)8-14(2)9-13(15)10-16-3/h4-7,13,15H,8-10H2,1-3H3.
What are the key properties of 1-methoxy-3-[methyl-[(3-methylphenyl)methyl]amino]propan-2-ol?
1-methoxy-3-[methyl-[(3-methylphenyl)methyl]amino]propan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[methyl-[(3-methylphenyl)methyl]amino]propan-2-ol is sourced from PubChem (CID 62015545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).