1-[benzyl(methyl)amino]-3-(2-methylphenoxy)propan-2-ol

C18H23NO2 — CID 117067141

IUPAC1-[benzyl(methyl)amino]-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)CN(C)Cc1ccccc1
InChIInChI=1S/C18H23NO2/c1-15-8-6-7-11-18(15)21-14-17(20)13-19(2)12-16-9-4-3-5-10-16/h3-11,17,20H,12-14H2,1-2H3
InChIKeyLJEUSUPNPMLNNP-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.87
Rot. Bonds7

About 1-[benzyl(methyl)amino]-3-(2-methylphenoxy)propan-2-ol

1-[benzyl(methyl)amino]-3-(2-methylphenoxy)propan-2-ol (PubChem CID 117067141) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[benzyl(methyl)amino]-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[benzyl(methyl)amino]-3-(2-methylphenoxy)propan-2-ol
PubChem CID117067141
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-[benzyl(methyl)amino]-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)CN(C)Cc1ccccc1
InChIInChI=1S/C18H23NO2/c1-15-8-6-7-11-18(15)21-14-17(20)13-19(2)12-16-9-4-3-5-10-16/h3-11,17,20H,12-14H2,1-2H3
InChIKeyLJEUSUPNPMLNNP-UHFFFAOYSA-N
XLogP2.87
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[benzyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 93161495
(2R)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93163727
1-[benzyl-[(3-fluorophenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 46007957
(2S)-1-[benzyl-[(3-fluorophenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93164915
(2R)-1-[(4-fluorophenyl)methyl-propan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol
CID 93164105
1-[benzyl(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 110877486
2-[3-[benzyl(methyl)amino]-2-hydroxypropoxy]-6-fluorobenzonitrile
CID 109416148
(2R)-1-[benzyl(furan-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 2502652
(2S)-1-[benzyl(thiophen-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 93164463
(2R)-1-[benzyl(methyl)amino]-3-[5-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 42511734
1-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-3-(2-methylphenoxy)propan-2-ol
CID 110009972
1-(2-methylphenoxy)-3-[(4-methylphenyl)methyl-(2-methylpropyl)amino]propan-2-ol
CID 24717275

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(methyl)amino]-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[benzyl(methyl)amino]-3-(2-methylphenoxy)propan-2-ol (CID 117067141) is 1-[benzyl(methyl)amino]-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[benzyl(methyl)amino]-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[benzyl(methyl)amino]-3-(2-methylphenoxy)propan-2-ol is Cc1ccccc1OCC(O)CN(C)Cc1ccccc1.
What is the InChIKey of 1-[benzyl(methyl)amino]-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is LJEUSUPNPMLNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-15-8-6-7-11-18(15)21-14-17(20)13-19(2)12-16-9-4-3-5-10-16/h3-11,17,20H,12-14H2,1-2H3.
What are the key properties of 1-[benzyl(methyl)amino]-3-(2-methylphenoxy)propan-2-ol?
1-[benzyl(methyl)amino]-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 285.39 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(methyl)amino]-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 117067141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).