2-[(5-chloro-2-methoxyphenyl)methyl-ethylamino]ethanol

C12H18ClNO2 — CID 60686064

IUPAC2-[(5-chloro-2-methoxyphenyl)methyl-ethylamino]ethanol
SMILESCCN(CCO)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C12H18ClNO2/c1-3-14(6-7-15)9-10-8-11(13)4-5-12(10)16-2/h4-5,8,15H,3,6-7,9H2,1-2H3
InChIKeyXEPOYMMCRBBUNF-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.16
Rot. Bonds6

About 2-[(5-chloro-2-methoxyphenyl)methyl-ethylamino]ethanol

2-[(5-chloro-2-methoxyphenyl)methyl-ethylamino]ethanol (PubChem CID 60686064) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxyphenyl)methyl-ethylamino]ethanol.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxyphenyl)methyl-ethylamino]ethanol
PubChem CID60686064
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name2-[(5-chloro-2-methoxyphenyl)methyl-ethylamino]ethanol
SMILESCCN(CCO)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C12H18ClNO2/c1-3-14(6-7-15)9-10-8-11(13)4-5-12(10)16-2/h4-5,8,15H,3,6-7,9H2,1-2H3
InChIKeyXEPOYMMCRBBUNF-UHFFFAOYSA-N
XLogP2.16
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-chloro-2-methoxyphenyl)methyl-ethylamino]propanoic acid
CID 61010059
3-[(5-bromo-2-methoxyphenyl)methyl-ethylamino]propan-1-ol
CID 115666249
2-[(5-bromo-2-methoxyphenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 30983525
2-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]acetamide
CID 56815803
4-(5-chloro-2-methoxyphenyl)butan-1-ol
CID 64513423
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
3-[2-(5-chloro-2-methoxyphenyl)ethyl-methylamino]propan-1-ol
CID 115217130
2-[(3-chlorophenyl)methyl-ethylamino]ethanol
CID 60685456
2-[2-(2-bromo-4-chlorophenoxy)ethyl-ethylamino]ethanol
CID 60685923
4-chloro-N-ethyl-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 54879156
2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]ethanol
CID 115613643
N'-ethyl-N'-[(2-methoxy-5-methylphenyl)methyl]propane-1,3-diamine
CID 62155475

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxyphenyl)methyl-ethylamino]ethanol?
The IUPAC name of 2-[(5-chloro-2-methoxyphenyl)methyl-ethylamino]ethanol (CID 60686064) is 2-[(5-chloro-2-methoxyphenyl)methyl-ethylamino]ethanol.
What is the SMILES notation for 2-[(5-chloro-2-methoxyphenyl)methyl-ethylamino]ethanol?
The canonical SMILES for 2-[(5-chloro-2-methoxyphenyl)methyl-ethylamino]ethanol is CCN(CCO)Cc1cc(Cl)ccc1OC.
What is the InChIKey of 2-[(5-chloro-2-methoxyphenyl)methyl-ethylamino]ethanol?
The InChIKey is XEPOYMMCRBBUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-3-14(6-7-15)9-10-8-11(13)4-5-12(10)16-2/h4-5,8,15H,3,6-7,9H2,1-2H3.
What are the key properties of 2-[(5-chloro-2-methoxyphenyl)methyl-ethylamino]ethanol?
2-[(5-chloro-2-methoxyphenyl)methyl-ethylamino]ethanol has a molecular weight of 243.73 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxyphenyl)methyl-ethylamino]ethanol is sourced from PubChem (CID 60686064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).