2-(4-chloro-3-methoxyphenyl)-1-(cyclopropylamino)propan-2-ol

C13H18ClNO2 — CID 79697533

IUPAC2-(4-chloro-3-methoxyphenyl)-1-(cyclopropylamino)propan-2-ol
SMILESCOc1cc(C(C)(O)CNC2CC2)ccc1Cl
InChIInChI=1S/C13H18ClNO2/c1-13(16,8-15-10-4-5-10)9-3-6-11(14)12(7-9)17-2/h3,6-7,10,15-16H,4-5,8H2,1-2H3
InChIKeyJEZISMIPQXYDMQ-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.31
Rot. Bonds5

About 2-(4-chloro-3-methoxyphenyl)-1-(cyclopropylamino)propan-2-ol

2-(4-chloro-3-methoxyphenyl)-1-(cyclopropylamino)propan-2-ol (PubChem CID 79697533) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 2-(4-chloro-3-methoxyphenyl)-1-(cyclopropylamino)propan-2-ol.

Molecular Properties

Compound Name2-(4-chloro-3-methoxyphenyl)-1-(cyclopropylamino)propan-2-ol
PubChem CID79697533
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name2-(4-chloro-3-methoxyphenyl)-1-(cyclopropylamino)propan-2-ol
SMILESCOc1cc(C(C)(O)CNC2CC2)ccc1Cl
InChIInChI=1S/C13H18ClNO2/c1-13(16,8-15-10-4-5-10)9-3-6-11(14)12(7-9)17-2/h3,6-7,10,15-16H,4-5,8H2,1-2H3
InChIKeyJEZISMIPQXYDMQ-UHFFFAOYSA-N
XLogP2.31
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-2-(4-methoxyphenyl)propan-2-ol
CID 62773017
1-(cyclopentylamino)-2-(4-methoxyphenyl)propan-2-ol
CID 115002997
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine
CID 62595328
1-(cyclopropylamino)-2-(2,5-dichlorophenyl)propan-2-ol
CID 62773402
2-(4-chloro-3-methoxyphenyl)hex-5-en-2-ol
CID 104656196
2-(3-chlorophenyl)-1-(cyclopentylamino)propan-2-ol
CID 119107466
1-(cyclopropylamino)-2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 107290618
2-(4-cyclobutylphenyl)-1-(cyclopropylamino)propan-2-ol
CID 116507021
N-[3-(3-chloro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 79829925
1-(4-chloro-3-methoxyphenyl)-1-N',1-N'-dimethyl-1-N-(4-methylcyclohexyl)ethane-1,1-diamine
CID 151263073
1-(cyclopropylamino)-2-(9H-fluoren-2-yl)propan-2-ol
CID 62775351
1-(4-chloro-3-methoxyphenyl)-1-phenylethanol
CID 79711700

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methoxyphenyl)-1-(cyclopropylamino)propan-2-ol?
The IUPAC name of 2-(4-chloro-3-methoxyphenyl)-1-(cyclopropylamino)propan-2-ol (CID 79697533) is 2-(4-chloro-3-methoxyphenyl)-1-(cyclopropylamino)propan-2-ol.
What is the SMILES notation for 2-(4-chloro-3-methoxyphenyl)-1-(cyclopropylamino)propan-2-ol?
The canonical SMILES for 2-(4-chloro-3-methoxyphenyl)-1-(cyclopropylamino)propan-2-ol is COc1cc(C(C)(O)CNC2CC2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methoxyphenyl)-1-(cyclopropylamino)propan-2-ol?
The InChIKey is JEZISMIPQXYDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-13(16,8-15-10-4-5-10)9-3-6-11(14)12(7-9)17-2/h3,6-7,10,15-16H,4-5,8H2,1-2H3.
What are the key properties of 2-(4-chloro-3-methoxyphenyl)-1-(cyclopropylamino)propan-2-ol?
2-(4-chloro-3-methoxyphenyl)-1-(cyclopropylamino)propan-2-ol has a molecular weight of 255.74 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methoxyphenyl)-1-(cyclopropylamino)propan-2-ol is sourced from PubChem (CID 79697533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).