2-(2-aminopropyl)-5-chlorophenol

C9H12ClNO — CID 83697150

IUPAC2-(2-aminopropyl)-5-chlorophenol
SMILESCC(N)Cc1ccc(Cl)cc1O
InChIInChI=1S/C9H12ClNO/c1-6(11)4-7-2-3-8(10)5-9(7)12/h2-3,5-6,12H,4,11H2,1H3
InChIKeyOOGFUVASCTYQFR-UHFFFAOYSA-N
MW185.65 g/mol
LogP1.94
Rot. Bonds2

About 2-(2-aminopropyl)-5-chlorophenol

2-(2-aminopropyl)-5-chlorophenol (PubChem CID 83697150) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 2-(2-aminopropyl)-5-chlorophenol.

Molecular Properties

Compound Name2-(2-aminopropyl)-5-chlorophenol
PubChem CID83697150
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name2-(2-aminopropyl)-5-chlorophenol
SMILESCC(N)Cc1ccc(Cl)cc1O
InChIInChI=1S/C9H12ClNO/c1-6(11)4-7-2-3-8(10)5-9(7)12/h2-3,5-6,12H,4,11H2,1H3
InChIKeyOOGFUVASCTYQFR-UHFFFAOYSA-N
XLogP1.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminopropyl)-5-fluorophenol
CID 83695312
1-(4-chloro-2-iodophenyl)propan-2-amine
CID 130001695
3-(4-chloro-2-hydroxyphenyl)-2-methylpropanoic acid
CID 131365879
2-amino-3-(4-chloro-2-hydroxyphenyl)propanoic acid
CID 82613831
2-(2-aminopropyl)-4-chloro-5-fluorophenol
CID 117292217
2-[(2S)-2-aminopropyl]-5-chlorobenzonitrile
CID 131218490
1-[4-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]propan-2-amine
CID 114865881
2-(2-aminopropyl)-5-chloro-N-(4-fluorophenyl)-N-methylaniline
CID 114861214
5-[(2R)-2-aminopropyl]-2-(18F)fluoro(18F)phenol
CID 67474806
1-(2-chloro-4-fluorophenyl)propan-2-amine
CID 62600100
2-(2-aminopropyl)-5-chloro-N-methyl-N-(3-methylbutyl)aniline
CID 114861536
2-(2-aminopropyl)-5-chloro-N-(2,2-dimethylpropyl)-N-methylaniline
CID 114861429

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-5-chlorophenol?
The IUPAC name of 2-(2-aminopropyl)-5-chlorophenol (CID 83697150) is 2-(2-aminopropyl)-5-chlorophenol.
What is the SMILES notation for 2-(2-aminopropyl)-5-chlorophenol?
The canonical SMILES for 2-(2-aminopropyl)-5-chlorophenol is CC(N)Cc1ccc(Cl)cc1O.
What is the InChIKey of 2-(2-aminopropyl)-5-chlorophenol?
The InChIKey is OOGFUVASCTYQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-6(11)4-7-2-3-8(10)5-9(7)12/h2-3,5-6,12H,4,11H2,1H3.
What are the key properties of 2-(2-aminopropyl)-5-chlorophenol?
2-(2-aminopropyl)-5-chlorophenol has a molecular weight of 185.65 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-5-chlorophenol is sourced from PubChem (CID 83697150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).