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

C24H26ClNO3 — CID 46007695

IUPAC1-[benzyl-[(2-methoxyphenyl)methyl]amino]-3-(4-chlorophenoxy)propan-2-ol
SMILESCOc1ccccc1CN(Cc1ccccc1)CC(O)COc1ccc(Cl)cc1
InChIInChI=1S/C24H26ClNO3/c1-28-24-10-6-5-9-20(24)16-26(15-19-7-3-2-4-8-19)17-22(27)18-29-23-13-11-21(25)12-14-23/h2-14,22,27H,15-18H2,1H3
InChIKeyIMOXWCSXCUYQHD-UHFFFAOYSA-N
MW411.93 g/mol
LogP4.79
Rot. Bonds10

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

1-[benzyl-[(2-methoxyphenyl)methyl]amino]-3-(4-chlorophenoxy)propan-2-ol (PubChem CID 46007695) has the molecular formula C24H26ClNO3 and a molecular weight of 411.93 g/mol. Its IUPAC name is 1-[benzyl-[(2-methoxyphenyl)methyl]amino]-3-(4-chlorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[benzyl-[(2-methoxyphenyl)methyl]amino]-3-(4-chlorophenoxy)propan-2-ol
PubChem CID46007695
Molecular FormulaC24H26ClNO3
Molecular Weight411.93 g/mol
Exact Mass411.16
IUPAC Name1-[benzyl-[(2-methoxyphenyl)methyl]amino]-3-(4-chlorophenoxy)propan-2-ol
SMILESCOc1ccccc1CN(Cc1ccccc1)CC(O)COc1ccc(Cl)cc1
InChIInChI=1S/C24H26ClNO3/c1-28-24-10-6-5-9-20(24)16-26(15-19-7-3-2-4-8-19)17-22(27)18-29-23-13-11-21(25)12-14-23/h2-14,22,27H,15-18H2,1H3
InChIKeyIMOXWCSXCUYQHD-UHFFFAOYSA-N
XLogP4.79
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[benzyl(2-methylpropyl)amino]-3-(4-chlorophenoxy)propan-2-ol
CID 93161416
1-(4-chlorophenoxy)-3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol
CID 46007702
1-[benzyl-[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 132585802
(2S)-1-[benzyl-[(2-methoxyphenyl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 93164224
1-(4-chlorophenoxy)-3-(2-methoxyphenyl)propan-2-ol
CID 105081523
(2S)-1-[(2,3-dimethoxyphenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 93147261
1-(4-chlorophenoxy)-3-[(2,3-dimethoxyphenyl)methyl-(3-methoxypropyl)amino]propan-2-ol
CID 46007052
1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 46006860
1-[benzyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol
CID 24714118
(2S)-1-[benzyl-[(2-methoxyphenyl)methyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 93164231
1-(4-chlorophenoxy)-3-[(3-methoxyphenyl)methyl-(2-methylpropyl)amino]propan-2-ol
CID 42682308
1-[benzyl-[(2-methoxyphenyl)methyl]amino]hex-5-en-2-ol
CID 46007693

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl-[(2-methoxyphenyl)methyl]amino]-3-(4-chlorophenoxy)propan-2-ol?
The IUPAC name of 1-[benzyl-[(2-methoxyphenyl)methyl]amino]-3-(4-chlorophenoxy)propan-2-ol (CID 46007695) is 1-[benzyl-[(2-methoxyphenyl)methyl]amino]-3-(4-chlorophenoxy)propan-2-ol.
What is the SMILES notation for 1-[benzyl-[(2-methoxyphenyl)methyl]amino]-3-(4-chlorophenoxy)propan-2-ol?
The canonical SMILES for 1-[benzyl-[(2-methoxyphenyl)methyl]amino]-3-(4-chlorophenoxy)propan-2-ol is COc1ccccc1CN(Cc1ccccc1)CC(O)COc1ccc(Cl)cc1.
What is the InChIKey of 1-[benzyl-[(2-methoxyphenyl)methyl]amino]-3-(4-chlorophenoxy)propan-2-ol?
The InChIKey is IMOXWCSXCUYQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClNO3/c1-28-24-10-6-5-9-20(24)16-26(15-19-7-3-2-4-8-19)17-22(27)18-29-23-13-11-21(25)12-14-23/h2-14,22,27H,15-18H2,1H3.
What are the key properties of 1-[benzyl-[(2-methoxyphenyl)methyl]amino]-3-(4-chlorophenoxy)propan-2-ol?
1-[benzyl-[(2-methoxyphenyl)methyl]amino]-3-(4-chlorophenoxy)propan-2-ol has a molecular weight of 411.93 g/mol, XLogP of 4.79, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl-[(2-methoxyphenyl)methyl]amino]-3-(4-chlorophenoxy)propan-2-ol is sourced from PubChem (CID 46007695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).