1-[(2-methoxyphenyl)methyl-methylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol

C21H29NO3 — CID 17471423

IUPAC1-[(2-methoxyphenyl)methyl-methylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol
SMILESCOc1ccccc1CN(C)CC(O)COc1c(C)ccc(C)c1C
InChIInChI=1S/C21H29NO3/c1-15-10-11-16(2)21(17(15)3)25-14-19(23)13-22(4)12-18-8-6-7-9-20(18)24-5/h6-11,19,23H,12-14H2,1-5H3
InChIKeyBPKCSEKOBOBROZ-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.49
Rot. Bonds8

About 1-[(2-methoxyphenyl)methyl-methylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol

1-[(2-methoxyphenyl)methyl-methylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol (PubChem CID 17471423) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl-methylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl-methylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol
PubChem CID17471423
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name1-[(2-methoxyphenyl)methyl-methylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol
SMILESCOc1ccccc1CN(C)CC(O)COc1c(C)ccc(C)c1C
InChIInChI=1S/C21H29NO3/c1-15-10-11-16(2)21(17(15)3)25-14-19(23)13-22(4)12-18-8-6-7-9-20(18)24-5/h6-11,19,23H,12-14H2,1-5H3
InChIKeyBPKCSEKOBOBROZ-UHFFFAOYSA-N
XLogP3.49
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(2,3-dimethoxyphenyl)methyl-methylamino]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 31085223
1-(4-fluorophenoxy)-3-[(2-methoxyphenyl)methyl-methylamino]propan-2-ol
CID 110877418
(2R)-1-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol
CID 41324163
1-[benzyl(methyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 117067141
1-methoxy-3-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propan-2-ol
CID 111118115
1-[(2,4-dimethoxyphenyl)methyl-methylamino]-3-naphthalen-2-yloxypropan-2-ol
CID 16553388
1-[(2-methoxyphenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol
CID 65449633
1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol
CID 78820773
2,2-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylethanamine
CID 63619044
1-amino-3-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]propan-2-ol
CID 115121516
1-(2-methoxy-3,4-dimethylphenyl)-2-(2-methoxyphenyl)ethanol
CID 103433092
1-[methyl(2-morpholin-4-ylethyl)amino]-3-(2,3,6-trimethylphenoxy)propan-2-ol
CID 111120244

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl-methylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol?
The IUPAC name of 1-[(2-methoxyphenyl)methyl-methylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol (CID 17471423) is 1-[(2-methoxyphenyl)methyl-methylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl-methylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl-methylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol is COc1ccccc1CN(C)CC(O)COc1c(C)ccc(C)c1C.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl-methylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol?
The InChIKey is BPKCSEKOBOBROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3/c1-15-10-11-16(2)21(17(15)3)25-14-19(23)13-22(4)12-18-8-6-7-9-20(18)24-5/h6-11,19,23H,12-14H2,1-5H3.
What are the key properties of 1-[(2-methoxyphenyl)methyl-methylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol?
1-[(2-methoxyphenyl)methyl-methylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol has a molecular weight of 343.47 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl-methylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol is sourced from PubChem (CID 17471423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).