5-(3-aminopropyl)-2-chloro-4-methylphenol

C10H14ClNO — CID 84775584

IUPAC5-(3-aminopropyl)-2-chloro-4-methylphenol
SMILESCc1cc(Cl)c(O)cc1CCCN
InChIInChI=1S/C10H14ClNO/c1-7-5-9(11)10(13)6-8(7)3-2-4-12/h5-6,13H,2-4,12H2,1H3
InChIKeyUXKXAIALAGWQDT-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.25
Rot. Bonds3

About 5-(3-aminopropyl)-2-chloro-4-methylphenol

5-(3-aminopropyl)-2-chloro-4-methylphenol (PubChem CID 84775584) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 5-(3-aminopropyl)-2-chloro-4-methylphenol.

Molecular Properties

Compound Name5-(3-aminopropyl)-2-chloro-4-methylphenol
PubChem CID84775584
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name5-(3-aminopropyl)-2-chloro-4-methylphenol
SMILESCc1cc(Cl)c(O)cc1CCCN
InChIInChI=1S/C10H14ClNO/c1-7-5-9(11)10(13)6-8(7)3-2-4-12/h5-6,13H,2-4,12H2,1H3
InChIKeyUXKXAIALAGWQDT-UHFFFAOYSA-N
XLogP2.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(3-aminopropyl)-2-chloro-4-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

3-(5-bromo-4-chloro-2-methylphenyl)propan-1-amine
CID 84807112
3-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284469
2-(3-aminopropyl)-4-chloro-5-propan-2-ylphenol
CID 117328035
6-(2-chloro-4,5-dimethylphenyl)hexan-1-amine
CID 115485082
3-(5-chloro-4-ethoxy-2-methylphenyl)propan-1-amine
CID 95447725
5-(3-aminopropyl)-2-methyl-4-methylsulfanylphenol
CID 117302130
3-(4-bromo-2,5-dimethylphenyl)propan-1-amine
CID 84801554
4-(3-aminopropyl)-2-chloro-6-methylphenol
CID 84775581
4-(4-chloro-2-methylphenyl)butan-1-amine
CID 82282107
2-(5-bromo-4-chloro-2-methylphenyl)ethanamine
CID 84803605
5-(2-aminoethyl)-2-bromo-4-methylphenol
CID 84793488
5-amino-2-chloro-4-methylphenol
CID 21428510

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-2-chloro-4-methylphenol?
The IUPAC name of 5-(3-aminopropyl)-2-chloro-4-methylphenol (CID 84775584) is 5-(3-aminopropyl)-2-chloro-4-methylphenol.
What is the SMILES notation for 5-(3-aminopropyl)-2-chloro-4-methylphenol?
The canonical SMILES for 5-(3-aminopropyl)-2-chloro-4-methylphenol is Cc1cc(Cl)c(O)cc1CCCN.
What is the InChIKey of 5-(3-aminopropyl)-2-chloro-4-methylphenol?
The InChIKey is UXKXAIALAGWQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-7-5-9(11)10(13)6-8(7)3-2-4-12/h5-6,13H,2-4,12H2,1H3.
What are the key properties of 5-(3-aminopropyl)-2-chloro-4-methylphenol?
5-(3-aminopropyl)-2-chloro-4-methylphenol has a molecular weight of 199.68 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-2-chloro-4-methylphenol is sourced from PubChem (CID 84775584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).