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

C20H27NO3 — CID 78782772

IUPAC1-[(3-methoxyphenyl)methoxy]-3-[methyl-[(2-methylphenyl)methyl]amino]propan-2-ol
SMILESCOc1cccc(COCC(O)CN(C)Cc2ccccc2C)c1
InChIInChI=1S/C20H27NO3/c1-16-7-4-5-9-18(16)12-21(2)13-19(22)15-24-14-17-8-6-10-20(11-17)23-3/h4-11,19,22H,12-15H2,1-3H3
InChIKeyUBECEDIAIDUVJC-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.01
Rot. Bonds9

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

1-[(3-methoxyphenyl)methoxy]-3-[methyl-[(2-methylphenyl)methyl]amino]propan-2-ol (PubChem CID 78782772) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methoxy]-3-[methyl-[(2-methylphenyl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methoxy]-3-[methyl-[(2-methylphenyl)methyl]amino]propan-2-ol
PubChem CID78782772
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name1-[(3-methoxyphenyl)methoxy]-3-[methyl-[(2-methylphenyl)methyl]amino]propan-2-ol
SMILESCOc1cccc(COCC(O)CN(C)Cc2ccccc2C)c1
InChIInChI=1S/C20H27NO3/c1-16-7-4-5-9-18(16)12-21(2)13-19(22)15-24-14-17-8-6-10-20(11-17)23-3/h4-11,19,22H,12-15H2,1-3H3
InChIKeyUBECEDIAIDUVJC-UHFFFAOYSA-N
XLogP3.01
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93162067
1-[(3-methoxyphenyl)methyl-methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 17471420
(2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93164962
(2S)-1-[(3-methoxyphenyl)methyl-methylamino]-3-propan-2-yloxypropan-2-ol
CID 95357888
(2R)-1-[[(2S)-butan-2-yl]-[(3-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 99732505
3-[(3-methoxyphenyl)methyl-methylamino]propane-1,2-diol
CID 78907088
1-[(2-methylphenyl)methyl-propan-2-ylamino]-3-phenylmethoxypropan-2-ol
CID 46007981
1-(3-methoxyphenyl)-3-(2-methylphenyl)propan-2-one
CID 61263840
ethyl 3-hydroxy-4-[(3-methoxyphenyl)methyl-methylamino]butanoate
CID 82768923
(2S)-1-[(2-chlorophenyl)methoxy]-3-[(3-fluorophenyl)methyl-methylamino]propan-2-ol
CID 2532709
1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 46007135
(2S)-1-[(3-methoxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93162908

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methoxy]-3-[methyl-[(2-methylphenyl)methyl]amino]propan-2-ol?
The IUPAC name of 1-[(3-methoxyphenyl)methoxy]-3-[methyl-[(2-methylphenyl)methyl]amino]propan-2-ol (CID 78782772) is 1-[(3-methoxyphenyl)methoxy]-3-[methyl-[(2-methylphenyl)methyl]amino]propan-2-ol.
What is the SMILES notation for 1-[(3-methoxyphenyl)methoxy]-3-[methyl-[(2-methylphenyl)methyl]amino]propan-2-ol?
The canonical SMILES for 1-[(3-methoxyphenyl)methoxy]-3-[methyl-[(2-methylphenyl)methyl]amino]propan-2-ol is COc1cccc(COCC(O)CN(C)Cc2ccccc2C)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methoxy]-3-[methyl-[(2-methylphenyl)methyl]amino]propan-2-ol?
The InChIKey is UBECEDIAIDUVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-16-7-4-5-9-18(16)12-21(2)13-19(22)15-24-14-17-8-6-10-20(11-17)23-3/h4-11,19,22H,12-15H2,1-3H3.
What are the key properties of 1-[(3-methoxyphenyl)methoxy]-3-[methyl-[(2-methylphenyl)methyl]amino]propan-2-ol?
1-[(3-methoxyphenyl)methoxy]-3-[methyl-[(2-methylphenyl)methyl]amino]propan-2-ol has a molecular weight of 329.44 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methoxy]-3-[methyl-[(2-methylphenyl)methyl]amino]propan-2-ol is sourced from PubChem (CID 78782772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).