1-[benzyl(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol

C18H23NO3 — CID 110877486

IUPAC1-[benzyl(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
SMILESCOc1ccc(OCC(O)CN(C)Cc2ccccc2)cc1
InChIInChI=1S/C18H23NO3/c1-19(12-15-6-4-3-5-7-15)13-16(20)14-22-18-10-8-17(21-2)9-11-18/h3-11,16,20H,12-14H2,1-2H3
InChIKeyYIGVNZBYDAVZJX-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.57
Rot. Bonds8

About 1-[benzyl(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol

1-[benzyl(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol (PubChem CID 110877486) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[benzyl(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[benzyl(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
PubChem CID110877486
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name1-[benzyl(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
SMILESCOc1ccc(OCC(O)CN(C)Cc2ccccc2)cc1
InChIInChI=1S/C18H23NO3/c1-19(12-15-6-4-3-5-7-15)13-16(20)14-22-18-10-8-17(21-2)9-11-18/h3-11,16,20H,12-14H2,1-2H3
InChIKeyYIGVNZBYDAVZJX-UHFFFAOYSA-N
XLogP2.57
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[benzyl-[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 132585802
1-[benzyl(methyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 166193938
4-[3-[benzyl(methyl)amino]-2-hydroxypropoxy]benzamide
CID 109415224
1-[benzyl(2-hydroxyethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 21237741
1-(N-benzyl-4-methoxyanilino)-3-(4-fluorophenoxy)propan-2-ol
CID 18204350
(2R)-1-[benzyl(methyl)amino]-3-[4-[[(4-fluorophenyl)methylamino]methyl]phenoxy]propan-2-ol
CID 26323939
(2S)-1-[benzyl(methyl)amino]-3-[4-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]phenoxy]propan-2-ol
CID 42342616
(2S)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 93160592
1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 24717288
(2S)-1-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]-3-phenoxypropan-2-ol
CID 93160526
1-[(4-fluorophenyl)methyl-methylamino]-3-(4-phenyldiazenylphenoxy)propan-2-ol
CID 175691841
1-(4-fluorophenoxy)-3-[(2-methoxyphenyl)methyl-methylamino]propan-2-ol
CID 110877418

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol?
The IUPAC name of 1-[benzyl(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol (CID 110877486) is 1-[benzyl(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-[benzyl(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-[benzyl(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol is COc1ccc(OCC(O)CN(C)Cc2ccccc2)cc1.
What is the InChIKey of 1-[benzyl(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol?
The InChIKey is YIGVNZBYDAVZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-19(12-15-6-4-3-5-7-15)13-16(20)14-22-18-10-8-17(21-2)9-11-18/h3-11,16,20H,12-14H2,1-2H3.
What are the key properties of 1-[benzyl(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol?
1-[benzyl(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol has a molecular weight of 301.39 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 110877486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).