2-[3-chloro-5-methoxy-4-(2-phenylethoxy)phenyl]ethanamine

C17H20ClNO2 — CID 20986329

IUPAC2-[3-chloro-5-methoxy-4-(2-phenylethoxy)phenyl]ethanamine
SMILESCOc1cc(CCN)cc(Cl)c1OCCc1ccccc1
InChIInChI=1S/C17H20ClNO2/c1-20-16-12-14(7-9-19)11-15(18)17(16)21-10-8-13-5-3-2-4-6-13/h2-6,11-12H,7-10,19H2,1H3
InChIKeyHPLMDNNQQZNAGE-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.47
Rot. Bonds7

About 2-[3-chloro-5-methoxy-4-(2-phenylethoxy)phenyl]ethanamine

2-[3-chloro-5-methoxy-4-(2-phenylethoxy)phenyl]ethanamine (PubChem CID 20986329) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-[3-chloro-5-methoxy-4-(2-phenylethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-chloro-5-methoxy-4-(2-phenylethoxy)phenyl]ethanamine
PubChem CID20986329
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name2-[3-chloro-5-methoxy-4-(2-phenylethoxy)phenyl]ethanamine
SMILESCOc1cc(CCN)cc(Cl)c1OCCc1ccccc1
InChIInChI=1S/C17H20ClNO2/c1-20-16-12-14(7-9-19)11-15(18)17(16)21-10-8-13-5-3-2-4-6-13/h2-6,11-12H,7-10,19H2,1H3
InChIKeyHPLMDNNQQZNAGE-UHFFFAOYSA-N
XLogP3.47
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-chloro-5-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 22683993
2-[3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine
CID 22687055
2-[3-chloro-4-[2-(2,3-dimethylphenoxy)ethoxy]-5-methoxyphenyl]ethanamine
CID 22684363
2-[4-[2-(4-tert-butylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl]ethanamine
CID 20985649
2-[3-chloro-5-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
CID 62071864
[3-chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-methoxyphenyl]methanamine
CID 20991995
[3-bromo-5-methoxy-4-(2-phenylethoxy)phenyl]methanamine
CID 43622210
[3,5-dimethoxy-4-(2-phenylethoxy)phenyl]methanol
CID 43516716
N-[(3-chloro-5-methoxy-4-propoxyphenyl)methyl]-2-phenylethanamine
CID 29226114
methyl 2-[4-(2-aminoethyl)-2-chloro-6-methoxyphenoxy]acetate
CID 54931047
2-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]ethanamine
CID 60906197
1-bromo-5-(bromomethyl)-3-methoxy-2-(2-phenylethoxy)benzene
CID 43622757

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-methoxy-4-(2-phenylethoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-chloro-5-methoxy-4-(2-phenylethoxy)phenyl]ethanamine (CID 20986329) is 2-[3-chloro-5-methoxy-4-(2-phenylethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-chloro-5-methoxy-4-(2-phenylethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-chloro-5-methoxy-4-(2-phenylethoxy)phenyl]ethanamine is COc1cc(CCN)cc(Cl)c1OCCc1ccccc1.
What is the InChIKey of 2-[3-chloro-5-methoxy-4-(2-phenylethoxy)phenyl]ethanamine?
The InChIKey is HPLMDNNQQZNAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-20-16-12-14(7-9-19)11-15(18)17(16)21-10-8-13-5-3-2-4-6-13/h2-6,11-12H,7-10,19H2,1H3.
What are the key properties of 2-[3-chloro-5-methoxy-4-(2-phenylethoxy)phenyl]ethanamine?
2-[3-chloro-5-methoxy-4-(2-phenylethoxy)phenyl]ethanamine has a molecular weight of 305.81 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-methoxy-4-(2-phenylethoxy)phenyl]ethanamine is sourced from PubChem (CID 20986329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).