4-[3-amino-2-(2,4-dimethylphenyl)propyl]-2-chlorophenol

C17H20ClNO — CID 83972856

IUPAC4-[3-amino-2-(2,4-dimethylphenyl)propyl]-2-chlorophenol
SMILESCc1ccc(C(CN)Cc2ccc(O)c(Cl)c2)c(C)c1
InChIInChI=1S/C17H20ClNO/c1-11-3-5-15(12(2)7-11)14(10-19)8-13-4-6-17(20)16(18)9-13/h3-7,9,14,20H,8,10,19H2,1-2H3
InChIKeyMFFCDLVSZCMYEG-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.95
Rot. Bonds4

About 4-[3-amino-2-(2,4-dimethylphenyl)propyl]-2-chlorophenol

4-[3-amino-2-(2,4-dimethylphenyl)propyl]-2-chlorophenol (PubChem CID 83972856) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 4-[3-amino-2-(2,4-dimethylphenyl)propyl]-2-chlorophenol.

Molecular Properties

Compound Name4-[3-amino-2-(2,4-dimethylphenyl)propyl]-2-chlorophenol
PubChem CID83972856
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name4-[3-amino-2-(2,4-dimethylphenyl)propyl]-2-chlorophenol
SMILESCc1ccc(C(CN)Cc2ccc(O)c(Cl)c2)c(C)c1
InChIInChI=1S/C17H20ClNO/c1-11-3-5-15(12(2)7-11)14(10-19)8-13-4-6-17(20)16(18)9-13/h3-7,9,14,20H,8,10,19H2,1-2H3
InChIKeyMFFCDLVSZCMYEG-UHFFFAOYSA-N
XLogP3.95
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[3-amino-2-(2,4-dimethylphenyl)propyl]-2-chlorophenol 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

3-(3-chlorophenyl)-2-(2,4-dimethylphenyl)propan-1-amine
CID 83972824
2-(2,4-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine
CID 83972875
3-(3-bromo-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine
CID 112538798
4-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]-2-methoxyphenol
CID 83974199
2-(2,4-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]propan-1-amine
CID 83972858
4-[3-amino-2-(3-chloro-4-ethoxyphenyl)propyl]-2-chlorophenol
CID 83973519
2-(2,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 83972840
2-(2,4-dimethylphenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine
CID 83972845
4-[3-amino-2-(3-chloro-4-methoxyphenyl)propyl]-2-chlorophenol
CID 83973477
2-(2,4-dimethylphenyl)-3-(2-methylphenyl)propan-1-amine
CID 83972876
4-(3-amino-2-pyridin-2-ylpropyl)-2-chlorophenol
CID 83975838
1-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2,4-dimethylbenzene
CID 63438267

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-2-(2,4-dimethylphenyl)propyl]-2-chlorophenol?
The IUPAC name of 4-[3-amino-2-(2,4-dimethylphenyl)propyl]-2-chlorophenol (CID 83972856) is 4-[3-amino-2-(2,4-dimethylphenyl)propyl]-2-chlorophenol.
What is the SMILES notation for 4-[3-amino-2-(2,4-dimethylphenyl)propyl]-2-chlorophenol?
The canonical SMILES for 4-[3-amino-2-(2,4-dimethylphenyl)propyl]-2-chlorophenol is Cc1ccc(C(CN)Cc2ccc(O)c(Cl)c2)c(C)c1.
What is the InChIKey of 4-[3-amino-2-(2,4-dimethylphenyl)propyl]-2-chlorophenol?
The InChIKey is MFFCDLVSZCMYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-11-3-5-15(12(2)7-11)14(10-19)8-13-4-6-17(20)16(18)9-13/h3-7,9,14,20H,8,10,19H2,1-2H3.
What are the key properties of 4-[3-amino-2-(2,4-dimethylphenyl)propyl]-2-chlorophenol?
4-[3-amino-2-(2,4-dimethylphenyl)propyl]-2-chlorophenol has a molecular weight of 289.81 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-2-(2,4-dimethylphenyl)propyl]-2-chlorophenol is sourced from PubChem (CID 83972856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).