3-(2-aminopropyl)-2-chloro-5-methylphenol

C10H14ClNO — CID 117288920

IUPAC3-(2-aminopropyl)-2-chloro-5-methylphenol
SMILESCc1cc(O)c(Cl)c(CC(C)N)c1
InChIInChI=1S/C10H14ClNO/c1-6-3-8(5-7(2)12)10(11)9(13)4-6/h3-4,7,13H,5,12H2,1-2H3
InChIKeyCCXVDRUCQGLBKK-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.24
Rot. Bonds2

About 3-(2-aminopropyl)-2-chloro-5-methylphenol

3-(2-aminopropyl)-2-chloro-5-methylphenol (PubChem CID 117288920) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 3-(2-aminopropyl)-2-chloro-5-methylphenol.

Molecular Properties

Compound Name3-(2-aminopropyl)-2-chloro-5-methylphenol
PubChem CID117288920
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name3-(2-aminopropyl)-2-chloro-5-methylphenol
SMILESCc1cc(O)c(Cl)c(CC(C)N)c1
InChIInChI=1S/C10H14ClNO/c1-6-3-8(5-7(2)12)10(11)9(13)4-6/h3-4,7,13H,5,12H2,1-2H3
InChIKeyCCXVDRUCQGLBKK-UHFFFAOYSA-N
XLogP2.24
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2-aminopropyl)-2-chloro-5-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloro-3-hydroxy-5-methylphenyl)acetic acid
CID 117289539
4-(2-aminopropyl)-2-chloro-3,5-dimethylphenol
CID 117304826
1-(2,3,5-trimethylphenyl)propan-2-amine
CID 117277671
2-(2-aminopropyl)-5-chlorophenol
CID 83697150
2-(2-aminopropyl)-6-[(dimethylamino)methyl]-4-methylphenol
CID 117318763
2-(2-aminopropyl)-6-tert-butyl-4-methylphenol
CID 117317029
2-(2-aminopropyl)-4-chloro-5-fluorophenol
CID 117292217
4-(2-aminopropyl)-3-chloro-5-methylbenzene-1,2-diol
CID 117307437
4-(2-aminopropyl)-5-fluoro-2-methylphenol
CID 117279524
4-(2,3-dihydroxy-5-methylphenyl)-3-methylbutan-2-one
CID 91394048
4-(2-aminopropyl)-6-chloro-2,3-difluorophenol
CID 117317248
1-(2,4,5-trichlorophenyl)propan-2-amine;hydrochloride
CID 3041172

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropyl)-2-chloro-5-methylphenol?
The IUPAC name of 3-(2-aminopropyl)-2-chloro-5-methylphenol (CID 117288920) is 3-(2-aminopropyl)-2-chloro-5-methylphenol.
What is the SMILES notation for 3-(2-aminopropyl)-2-chloro-5-methylphenol?
The canonical SMILES for 3-(2-aminopropyl)-2-chloro-5-methylphenol is Cc1cc(O)c(Cl)c(CC(C)N)c1.
What is the InChIKey of 3-(2-aminopropyl)-2-chloro-5-methylphenol?
The InChIKey is CCXVDRUCQGLBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-6-3-8(5-7(2)12)10(11)9(13)4-6/h3-4,7,13H,5,12H2,1-2H3.
What are the key properties of 3-(2-aminopropyl)-2-chloro-5-methylphenol?
3-(2-aminopropyl)-2-chloro-5-methylphenol has a molecular weight of 199.68 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropyl)-2-chloro-5-methylphenol is sourced from PubChem (CID 117288920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).