3-[2-(5-chloro-2-methoxyphenyl)ethyl-methylamino]propan-1-ol

C13H20ClNO2 — CID 115217130

IUPAC3-[2-(5-chloro-2-methoxyphenyl)ethyl-methylamino]propan-1-ol
SMILESCOc1ccc(Cl)cc1CCN(C)CCCO
InChIInChI=1S/C13H20ClNO2/c1-15(7-3-9-16)8-6-11-10-12(14)4-5-13(11)17-2/h4-5,10,16H,3,6-9H2,1-2H3
InChIKeyYRUGFAMDRCUVTC-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.21
Rot. Bonds7

About 3-[2-(5-chloro-2-methoxyphenyl)ethyl-methylamino]propan-1-ol

3-[2-(5-chloro-2-methoxyphenyl)ethyl-methylamino]propan-1-ol (PubChem CID 115217130) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 3-[2-(5-chloro-2-methoxyphenyl)ethyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[2-(5-chloro-2-methoxyphenyl)ethyl-methylamino]propan-1-ol
PubChem CID115217130
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name3-[2-(5-chloro-2-methoxyphenyl)ethyl-methylamino]propan-1-ol
SMILESCOc1ccc(Cl)cc1CCN(C)CCCO
InChIInChI=1S/C13H20ClNO2/c1-15(7-3-9-16)8-6-11-10-12(14)4-5-13(11)17-2/h4-5,10,16H,3,6-9H2,1-2H3
InChIKeyYRUGFAMDRCUVTC-UHFFFAOYSA-N
XLogP2.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-2-methoxyphenyl)butan-1-ol
CID 64513423
2-[2-(5-chloro-2-methoxyphenyl)ethyl-methylamino]acetic acid
CID 112519079
3-amino-1-[2-(5-chloro-2-methoxyphenyl)ethyl]-1-methylurea
CID 115193010
2-[(5-chloro-2-methoxyphenyl)methyl-ethylamino]ethanol
CID 60686064
N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N'-methylbutane-1,4-diamine
CID 115201513
4-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 59192502
N-(2-chloroethyl)-2-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 94272315
3-[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]propane-1-thiol
CID 115225218
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
5-(5-chloro-2-methoxyphenyl)pentanoic acid
CID 93186212
4-(5-chloro-2-methoxyphenyl)butanethioamide
CID 83933152
N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 94258994

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-chloro-2-methoxyphenyl)ethyl-methylamino]propan-1-ol?
The IUPAC name of 3-[2-(5-chloro-2-methoxyphenyl)ethyl-methylamino]propan-1-ol (CID 115217130) is 3-[2-(5-chloro-2-methoxyphenyl)ethyl-methylamino]propan-1-ol.
What is the SMILES notation for 3-[2-(5-chloro-2-methoxyphenyl)ethyl-methylamino]propan-1-ol?
The canonical SMILES for 3-[2-(5-chloro-2-methoxyphenyl)ethyl-methylamino]propan-1-ol is COc1ccc(Cl)cc1CCN(C)CCCO.
What is the InChIKey of 3-[2-(5-chloro-2-methoxyphenyl)ethyl-methylamino]propan-1-ol?
The InChIKey is YRUGFAMDRCUVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-15(7-3-9-16)8-6-11-10-12(14)4-5-13(11)17-2/h4-5,10,16H,3,6-9H2,1-2H3.
What are the key properties of 3-[2-(5-chloro-2-methoxyphenyl)ethyl-methylamino]propan-1-ol?
3-[2-(5-chloro-2-methoxyphenyl)ethyl-methylamino]propan-1-ol has a molecular weight of 257.76 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-chloro-2-methoxyphenyl)ethyl-methylamino]propan-1-ol is sourced from PubChem (CID 115217130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).