4-[3-amino-2-(3-chloro-4-ethoxyphenyl)propyl]-2-chlorophenol

C17H19Cl2NO2 — CID 83973519

IUPAC4-[3-amino-2-(3-chloro-4-ethoxyphenyl)propyl]-2-chlorophenol
SMILESCCOc1ccc(C(CN)Cc2ccc(O)c(Cl)c2)cc1Cl
InChIInChI=1S/C17H19Cl2NO2/c1-2-22-17-6-4-12(9-15(17)19)13(10-20)7-11-3-5-16(21)14(18)8-11/h3-6,8-9,13,21H,2,7,10,20H2,1H3
InChIKeySFZQBBJGJIDTCU-UHFFFAOYSA-N
MW340.25 g/mol
LogP4.38
Rot. Bonds6

About 4-[3-amino-2-(3-chloro-4-ethoxyphenyl)propyl]-2-chlorophenol

4-[3-amino-2-(3-chloro-4-ethoxyphenyl)propyl]-2-chlorophenol (PubChem CID 83973519) has the molecular formula C17H19Cl2NO2 and a molecular weight of 340.25 g/mol. Its IUPAC name is 4-[3-amino-2-(3-chloro-4-ethoxyphenyl)propyl]-2-chlorophenol.

Molecular Properties

Compound Name4-[3-amino-2-(3-chloro-4-ethoxyphenyl)propyl]-2-chlorophenol
PubChem CID83973519
Molecular FormulaC17H19Cl2NO2
Molecular Weight340.25 g/mol
Exact Mass339.08
IUPAC Name4-[3-amino-2-(3-chloro-4-ethoxyphenyl)propyl]-2-chlorophenol
SMILESCCOc1ccc(C(CN)Cc2ccc(O)c(Cl)c2)cc1Cl
InChIInChI=1S/C17H19Cl2NO2/c1-2-22-17-6-4-12(9-15(17)19)13(10-20)7-11-3-5-16(21)14(18)8-11/h3-6,8-9,13,21H,2,7,10,20H2,1H3
InChIKeySFZQBBJGJIDTCU-UHFFFAOYSA-N
XLogP4.38
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-amino-2-(3-chloro-4-methoxyphenyl)propyl]-2-chlorophenol
CID 83973477
4-[1-amino-3-(3-chloro-4-ethoxyphenyl)propan-2-yl]phenol
CID 83975417
3-(3-chloro-4-ethoxyphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973712
3-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine
CID 83977058
2-(3-chloro-4-methoxyphenyl)-3-(3,4-dichlorophenyl)propan-1-amine
CID 112538861
3-(4-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propan-1-amine
CID 83974093
3-(3,4-diethoxyphenyl)-2-(4-ethylphenyl)propan-1-amine
CID 83973025
2-(3-chloro-4-ethoxyphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine
CID 83973518
4-[3-amino-2-(1,3-benzodioxol-5-yl)propyl]-2-ethoxyphenol
CID 83973932
2-(3-chloro-4-ethoxyphenyl)butan-1-ol
CID 116964115
3-(3-ethoxy-4-methoxyphenyl)-2-(4-propan-2-ylphenyl)propan-1-amine
CID 83973107
3-(3-chloro-4-ethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977361

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-2-(3-chloro-4-ethoxyphenyl)propyl]-2-chlorophenol?
The IUPAC name of 4-[3-amino-2-(3-chloro-4-ethoxyphenyl)propyl]-2-chlorophenol (CID 83973519) is 4-[3-amino-2-(3-chloro-4-ethoxyphenyl)propyl]-2-chlorophenol.
What is the SMILES notation for 4-[3-amino-2-(3-chloro-4-ethoxyphenyl)propyl]-2-chlorophenol?
The canonical SMILES for 4-[3-amino-2-(3-chloro-4-ethoxyphenyl)propyl]-2-chlorophenol is CCOc1ccc(C(CN)Cc2ccc(O)c(Cl)c2)cc1Cl.
What is the InChIKey of 4-[3-amino-2-(3-chloro-4-ethoxyphenyl)propyl]-2-chlorophenol?
The InChIKey is SFZQBBJGJIDTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO2/c1-2-22-17-6-4-12(9-15(17)19)13(10-20)7-11-3-5-16(21)14(18)8-11/h3-6,8-9,13,21H,2,7,10,20H2,1H3.
What are the key properties of 4-[3-amino-2-(3-chloro-4-ethoxyphenyl)propyl]-2-chlorophenol?
4-[3-amino-2-(3-chloro-4-ethoxyphenyl)propyl]-2-chlorophenol has a molecular weight of 340.25 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-2-(3-chloro-4-ethoxyphenyl)propyl]-2-chlorophenol is sourced from PubChem (CID 83973519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).