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

C16H17Cl2NO2 — CID 83973477

IUPAC4-[3-amino-2-(3-chloro-4-methoxyphenyl)propyl]-2-chlorophenol
SMILESCOc1ccc(C(CN)Cc2ccc(O)c(Cl)c2)cc1Cl
InChIInChI=1S/C16H17Cl2NO2/c1-21-16-5-3-11(8-14(16)18)12(9-19)6-10-2-4-15(20)13(17)7-10/h2-5,7-8,12,20H,6,9,19H2,1H3
InChIKeyIHGKATJPNBUYCV-UHFFFAOYSA-N
MW326.22 g/mol
LogP3.99
Rot. Bonds5

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

4-[3-amino-2-(3-chloro-4-methoxyphenyl)propyl]-2-chlorophenol (PubChem CID 83973477) has the molecular formula C16H17Cl2NO2 and a molecular weight of 326.22 g/mol. Its IUPAC name is 4-[3-amino-2-(3-chloro-4-methoxyphenyl)propyl]-2-chlorophenol.

Molecular Properties

Compound Name4-[3-amino-2-(3-chloro-4-methoxyphenyl)propyl]-2-chlorophenol
PubChem CID83973477
Molecular FormulaC16H17Cl2NO2
Molecular Weight326.22 g/mol
Exact Mass325.06
IUPAC Name4-[3-amino-2-(3-chloro-4-methoxyphenyl)propyl]-2-chlorophenol
SMILESCOc1ccc(C(CN)Cc2ccc(O)c(Cl)c2)cc1Cl
InChIInChI=1S/C16H17Cl2NO2/c1-21-16-5-3-11(8-14(16)18)12(9-19)6-10-2-4-15(20)13(17)7-10/h2-5,7-8,12,20H,6,9,19H2,1H3
InChIKeyIHGKATJPNBUYCV-UHFFFAOYSA-N
XLogP3.99
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-methoxyphenyl)-3-(3,4-dichlorophenyl)propan-1-amine
CID 112538861
4-[3-amino-2-(3-chloro-4-ethoxyphenyl)propyl]-2-chlorophenol
CID 83973519
3-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973751
3-(3-chloro-4-methoxyphenyl)-2-phenylpropan-1-amine
CID 82141792
5-[3-amino-2-(4-chlorophenyl)propyl]-2-methoxyphenol
CID 82160848
3-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine
CID 83974913
4-[1-amino-3-(3-chloro-4-ethoxyphenyl)propan-2-yl]phenol
CID 83975417
4-[3-amino-2-(3-methoxyphenyl)propyl]-2-methoxyphenol
CID 83972582
4-[3-amino-2-(4-fluorophenyl)propyl]-2-chloro-6-methoxyphenol
CID 82160859
3-(4-chlorophenyl)-2-(3-ethyl-4-methoxyphenyl)propan-1-amine
CID 82139388
3-(3-chloro-4-ethoxyphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973712
1,2-dichloro-4-[2-chloro-2-(3-chloro-4-methoxyphenyl)ethyl]benzene
CID 63431003

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-2-(3-chloro-4-methoxyphenyl)propyl]-2-chlorophenol?
The IUPAC name of 4-[3-amino-2-(3-chloro-4-methoxyphenyl)propyl]-2-chlorophenol (CID 83973477) is 4-[3-amino-2-(3-chloro-4-methoxyphenyl)propyl]-2-chlorophenol.
What is the SMILES notation for 4-[3-amino-2-(3-chloro-4-methoxyphenyl)propyl]-2-chlorophenol?
The canonical SMILES for 4-[3-amino-2-(3-chloro-4-methoxyphenyl)propyl]-2-chlorophenol is COc1ccc(C(CN)Cc2ccc(O)c(Cl)c2)cc1Cl.
What is the InChIKey of 4-[3-amino-2-(3-chloro-4-methoxyphenyl)propyl]-2-chlorophenol?
The InChIKey is IHGKATJPNBUYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO2/c1-21-16-5-3-11(8-14(16)18)12(9-19)6-10-2-4-15(20)13(17)7-10/h2-5,7-8,12,20H,6,9,19H2,1H3.
What are the key properties of 4-[3-amino-2-(3-chloro-4-methoxyphenyl)propyl]-2-chlorophenol?
4-[3-amino-2-(3-chloro-4-methoxyphenyl)propyl]-2-chlorophenol has a molecular weight of 326.22 g/mol, XLogP of 3.99, 5 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-methoxyphenyl)propyl]-2-chlorophenol is sourced from PubChem (CID 83973477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).