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

C20H24ClNO3 — CID 46007702

IUPAC1-(4-chlorophenoxy)-3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol
SMILESCOc1ccccc1CN(CC(O)COc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C20H24ClNO3/c1-24-20-5-3-2-4-15(20)12-22(17-8-9-17)13-18(23)14-25-19-10-6-16(21)7-11-19/h2-7,10-11,17-18,23H,8-9,12-14H2,1H3
InChIKeyKCOZZQRNPGLOMT-UHFFFAOYSA-N
MW361.87 g/mol
LogP3.75
Rot. Bonds9

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

1-(4-chlorophenoxy)-3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol (PubChem CID 46007702) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol
PubChem CID46007702
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC Name1-(4-chlorophenoxy)-3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol
SMILESCOc1ccccc1CN(CC(O)COc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C20H24ClNO3/c1-24-20-5-3-2-4-15(20)12-22(17-8-9-17)13-18(23)14-25-19-10-6-16(21)7-11-19/h2-7,10-11,17-18,23H,8-9,12-14H2,1H3
InChIKeyKCOZZQRNPGLOMT-UHFFFAOYSA-N
XLogP3.75
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenoxy)-3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chlorophenoxy)-3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol
CID 112840259
1-[benzyl-[(2-methoxyphenyl)methyl]amino]-3-(4-chlorophenoxy)propan-2-ol
CID 46007695
1-(4-chlorophenoxy)-3-(2-methoxyphenyl)propan-2-ol
CID 105081523
1-(4-chlorophenoxy)-3-[cyclopropyl(2,2-difluoroethyl)amino]propan-2-ol
CID 111107122
[3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]-2-hydroxypropyl] butanoate
CID 42682347
(2S)-1-[cyclopropyl-[(3,5-dimethoxyphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 93160470
1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 46007609
1-(4-fluorophenoxy)-3-[(2-methoxyphenyl)methyl-methylamino]propan-2-ol
CID 110877418
1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 42794852
2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylamino]acetamide
CID 110899477
1-(4-chlorophenoxy)-3-[(2,3-dimethoxyphenyl)methyl-(3-methoxypropyl)amino]propan-2-ol
CID 46007052
1-[2-(aminomethyl)phenoxy]-3-[cyclopropyl(ethyl)amino]propan-2-ol
CID 43263892

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol?
The IUPAC name of 1-(4-chlorophenoxy)-3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol (CID 46007702) is 1-(4-chlorophenoxy)-3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol?
The canonical SMILES for 1-(4-chlorophenoxy)-3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol is COc1ccccc1CN(CC(O)COc1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol?
The InChIKey is KCOZZQRNPGLOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO3/c1-24-20-5-3-2-4-15(20)12-22(17-8-9-17)13-18(23)14-25-19-10-6-16(21)7-11-19/h2-7,10-11,17-18,23H,8-9,12-14H2,1H3.
What are the key properties of 1-(4-chlorophenoxy)-3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol?
1-(4-chlorophenoxy)-3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol has a molecular weight of 361.87 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol is sourced from PubChem (CID 46007702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).