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

C20H24ClNO3 — CID 112840259

IUPAC1-(2-chlorophenoxy)-3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol
SMILESCOc1ccccc1CN(CC(O)COc1ccccc1Cl)C1CC1
InChIInChI=1S/C20H24ClNO3/c1-24-19-8-4-2-6-15(19)12-22(16-10-11-16)13-17(23)14-25-20-9-5-3-7-18(20)21/h2-9,16-17,23H,10-14H2,1H3
InChIKeyXUTNUPVOKPHKCM-UHFFFAOYSA-N
MW361.87 g/mol
LogP3.75
Rot. Bonds9

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

1-(2-chlorophenoxy)-3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol (PubChem CID 112840259) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is 1-(2-chlorophenoxy)-3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-chlorophenoxy)-3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol
PubChem CID112840259
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC Name1-(2-chlorophenoxy)-3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol
SMILESCOc1ccccc1CN(CC(O)COc1ccccc1Cl)C1CC1
InChIInChI=1S/C20H24ClNO3/c1-24-19-8-4-2-6-15(19)12-22(16-10-11-16)13-17(23)14-25-20-9-5-3-7-18(20)21/h2-9,16-17,23H,10-14H2,1H3
InChIKeyXUTNUPVOKPHKCM-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

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Related Compounds

1-(4-chlorophenoxy)-3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol
CID 46007702
[3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]-2-hydroxypropyl] butanoate
CID 42682347
1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 46007609
(2S)-1-(2-chlorophenoxy)-3-(dimethylamino)propan-2-ol
CID 40540867
1-[2-(aminomethyl)phenoxy]-3-[cyclopropyl(ethyl)amino]propan-2-ol
CID 43263892
2-[[cyclohexyl-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]amino]methyl]phenol
CID 7872383
(2S)-1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93163790
(2R)-1-(2-chlorophenoxy)-3-(diethylamino)propan-2-ol
CID 7185787
1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 42794853
1-[bis(2-methylpropyl)amino]-3-(2-chlorophenoxy)propan-2-ol
CID 2914248
N-(2-bromoethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine
CID 80666884
1-(2-chlorophenoxy)-3-[ethyl-[(2-methylphenyl)methyl]amino]propan-2-ol
CID 112820795

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenoxy)-3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol?
The IUPAC name of 1-(2-chlorophenoxy)-3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol (CID 112840259) is 1-(2-chlorophenoxy)-3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol.
What is the SMILES notation for 1-(2-chlorophenoxy)-3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol?
The canonical SMILES for 1-(2-chlorophenoxy)-3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol is COc1ccccc1CN(CC(O)COc1ccccc1Cl)C1CC1.
What is the InChIKey of 1-(2-chlorophenoxy)-3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol?
The InChIKey is XUTNUPVOKPHKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO3/c1-24-19-8-4-2-6-15(19)12-22(16-10-11-16)13-17(23)14-25-20-9-5-3-7-18(20)21/h2-9,16-17,23H,10-14H2,1H3.
What are the key properties of 1-(2-chlorophenoxy)-3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol?
1-(2-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-(2-chlorophenoxy)-3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol is sourced from PubChem (CID 112840259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).