5-[3-amino-2-(4-chlorophenyl)propyl]-2-methoxyphenol

C16H18ClNO2 — CID 82160848

IUPAC5-[3-amino-2-(4-chlorophenyl)propyl]-2-methoxyphenol
SMILESCOc1ccc(CC(CN)c2ccc(Cl)cc2)cc1O
InChIInChI=1S/C16H18ClNO2/c1-20-16-7-2-11(9-15(16)19)8-13(10-18)12-3-5-14(17)6-4-12/h2-7,9,13,19H,8,10,18H2,1H3
InChIKeyYYXYXWVBVOUTOE-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.34
Rot. Bonds5

About 5-[3-amino-2-(4-chlorophenyl)propyl]-2-methoxyphenol

5-[3-amino-2-(4-chlorophenyl)propyl]-2-methoxyphenol (PubChem CID 82160848) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 5-[3-amino-2-(4-chlorophenyl)propyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[3-amino-2-(4-chlorophenyl)propyl]-2-methoxyphenol
PubChem CID82160848
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name5-[3-amino-2-(4-chlorophenyl)propyl]-2-methoxyphenol
SMILESCOc1ccc(CC(CN)c2ccc(Cl)cc2)cc1O
InChIInChI=1S/C16H18ClNO2/c1-20-16-7-2-11(9-15(16)19)8-13(10-18)12-3-5-14(17)6-4-12/h2-7,9,13,19H,8,10,18H2,1H3
InChIKeyYYXYXWVBVOUTOE-UHFFFAOYSA-N
XLogP3.34
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.34
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
3-(4-chlorophenyl)-2-(3-ethyl-4-methoxyphenyl)propan-1-amine
CID 82139388
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
2-(3-chloro-4-methoxyphenyl)-3-(3,4-dichlorophenyl)propan-1-amine
CID 112538861
5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-2-methoxyphenol
CID 28645174
5-(2-aminoethyl)-2-methoxyphenol chloride
CID 53313231
3-(3-bromo-4-methoxyphenyl)-2-(4-bromophenyl)propan-1-amine
CID 79438085
3-(3-ethoxy-4-methoxyphenyl)-2-(4-propan-2-ylphenyl)propan-1-amine
CID 83973107
5-(3-aminopropyl)-2-methoxyphenol
CID 55265877
5-[[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]methyl]-2-methoxyphenol
CID 94803138
4-[1-amino-3-(3-chloro-4-ethoxyphenyl)propan-2-yl]phenol
CID 83975417

Frequently Asked Questions

What is the IUPAC name of 5-[3-amino-2-(4-chlorophenyl)propyl]-2-methoxyphenol?
The IUPAC name of 5-[3-amino-2-(4-chlorophenyl)propyl]-2-methoxyphenol (CID 82160848) is 5-[3-amino-2-(4-chlorophenyl)propyl]-2-methoxyphenol.
What is the SMILES notation for 5-[3-amino-2-(4-chlorophenyl)propyl]-2-methoxyphenol?
The canonical SMILES for 5-[3-amino-2-(4-chlorophenyl)propyl]-2-methoxyphenol is COc1ccc(CC(CN)c2ccc(Cl)cc2)cc1O.
What is the InChIKey of 5-[3-amino-2-(4-chlorophenyl)propyl]-2-methoxyphenol?
The InChIKey is YYXYXWVBVOUTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-20-16-7-2-11(9-15(16)19)8-13(10-18)12-3-5-14(17)6-4-12/h2-7,9,13,19H,8,10,18H2,1H3.
What are the key properties of 5-[3-amino-2-(4-chlorophenyl)propyl]-2-methoxyphenol?
5-[3-amino-2-(4-chlorophenyl)propyl]-2-methoxyphenol has a molecular weight of 291.78 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-amino-2-(4-chlorophenyl)propyl]-2-methoxyphenol is sourced from PubChem (CID 82160848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).