4-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxy-6-methylphenol

C12H16ClNO2 — CID 84801297

IUPAC4-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxy-6-methylphenol
SMILESCOc1c(C2(CN)CC2)cc(C)c(O)c1Cl
InChIInChI=1S/C12H16ClNO2/c1-7-5-8(12(6-14)3-4-12)11(16-2)9(13)10(7)15/h5,15H,3-4,6,14H2,1-2H3
InChIKeySSGULFVFGSTDEO-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.35
Rot. Bonds3

About 4-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxy-6-methylphenol

4-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxy-6-methylphenol (PubChem CID 84801297) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxy-6-methylphenol.

Molecular Properties

Compound Name4-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxy-6-methylphenol
PubChem CID84801297
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name4-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxy-6-methylphenol
SMILESCOc1c(C2(CN)CC2)cc(C)c(O)c1Cl
InChIInChI=1S/C12H16ClNO2/c1-7-5-8(12(6-14)3-4-12)11(16-2)9(13)10(7)15/h5,15H,3-4,6,14H2,1-2H3
InChIKeySSGULFVFGSTDEO-UHFFFAOYSA-N
XLogP2.35
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxy-6-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

[1-(4-chloro-2-methoxy-3,5-dimethylphenyl)cyclopropyl]methanamine
CID 117352237
4-(1-aminocyclopropyl)-2-chloro-3-methoxy-6-methylphenol
CID 84791831
[1-(3-chloro-2,5-dimethoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117392552
3-[1-(aminomethyl)cyclopropyl]-6-chloro-2-methoxyphenol
CID 117327619
[1-(3-chloro-4-methoxy-5-methylphenyl)cyclopropyl]methanamine
CID 84790715
6-[1-(aminomethyl)cyclopropyl]-2,4-difluoro-3-methoxyphenol
CID 84792634
[1-(2-methoxy-3,4-dimethylphenyl)cyclopropyl]methanamine
CID 117293943
3-[1-(aminomethyl)cyclobutyl]-2-chloro-6-methylphenol
CID 117324591
4-[1-(aminomethyl)cyclopentyl]-2,3,6-trimethylphenol
CID 117113307
5-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxyphenol
CID 84791834
[1-(5-chloro-2,4-difluoro-3-methoxyphenyl)cyclopropyl]methanamine
CID 117372344
4-[1-(aminomethyl)cyclohexyl]-2,3,6-trimethylphenol
CID 117113435

Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxy-6-methylphenol?
The IUPAC name of 4-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxy-6-methylphenol (CID 84801297) is 4-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxy-6-methylphenol.
What is the SMILES notation for 4-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxy-6-methylphenol?
The canonical SMILES for 4-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxy-6-methylphenol is COc1c(C2(CN)CC2)cc(C)c(O)c1Cl.
What is the InChIKey of 4-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxy-6-methylphenol?
The InChIKey is SSGULFVFGSTDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-7-5-8(12(6-14)3-4-12)11(16-2)9(13)10(7)15/h5,15H,3-4,6,14H2,1-2H3.
What are the key properties of 4-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxy-6-methylphenol?
4-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxy-6-methylphenol has a molecular weight of 241.72 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxy-6-methylphenol is sourced from PubChem (CID 84801297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).