4-(3-aminoprop-1-enyl)-2-chloro-6-methoxyphenol

C10H12ClNO2 — CID 169464704

IUPAC4-(3-aminoprop-1-enyl)-2-chloro-6-methoxyphenol
SMILESCOc1cc(C=CCN)cc(Cl)c1O
InChIInChI=1S/C10H12ClNO2/c1-14-9-6-7(3-2-4-12)5-8(11)10(9)13/h2-3,5-6,13H,4,12H2,1H3
InChIKeyJMPULILCFVHCRR-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.03
Rot. Bonds3

About 4-(3-aminoprop-1-enyl)-2-chloro-6-methoxyphenol

4-(3-aminoprop-1-enyl)-2-chloro-6-methoxyphenol (PubChem CID 169464704) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 4-(3-aminoprop-1-enyl)-2-chloro-6-methoxyphenol.

Molecular Properties

Compound Name4-(3-aminoprop-1-enyl)-2-chloro-6-methoxyphenol
PubChem CID169464704
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name4-(3-aminoprop-1-enyl)-2-chloro-6-methoxyphenol
SMILESCOc1cc(C=CCN)cc(Cl)c1O
InChIInChI=1S/C10H12ClNO2/c1-14-9-6-7(3-2-4-12)5-8(11)10(9)13/h2-3,5-6,13H,4,12H2,1H3
InChIKeyJMPULILCFVHCRR-UHFFFAOYSA-N
XLogP2.03
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(3-aminoprop-1-enyl)-2-chloro-6-methoxyphenol 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

4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-methylphenol
CID 117283631
4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-(trifluoromethyl)phenol
CID 117369569
(E)-3-(2-chloro-4,5-dimethoxyphenyl)prop-2-en-1-amine
CID 117327748
2-amino-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol
CID 25033053
4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 71361751
(E)-3-(4-fluoro-3-methoxy-5-methylphenyl)prop-2-en-1-amine
CID 117285338
(E)-3-(3-chloro-4-methoxy-5-propan-2-ylphenyl)prop-2-en-1-amine
CID 117352025
5-[(E)-3-aminoprop-1-enyl]-3-ethoxy-2-methoxyphenol
CID 117319602
(E)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-(2,5-dichlorophenyl)prop-2-en-1-one
CID 8858293
(E)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 7947778
4-[(E)-3-ethoxyprop-1-enyl]-2,6-dimethoxyphenol
CID 13436193
2-[(E)-3-aminoprop-1-enyl]-4-ethyl-6-methoxyphenol
CID 117295929

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoprop-1-enyl)-2-chloro-6-methoxyphenol?
The IUPAC name of 4-(3-aminoprop-1-enyl)-2-chloro-6-methoxyphenol (CID 169464704) is 4-(3-aminoprop-1-enyl)-2-chloro-6-methoxyphenol.
What is the SMILES notation for 4-(3-aminoprop-1-enyl)-2-chloro-6-methoxyphenol?
The canonical SMILES for 4-(3-aminoprop-1-enyl)-2-chloro-6-methoxyphenol is COc1cc(C=CCN)cc(Cl)c1O.
What is the InChIKey of 4-(3-aminoprop-1-enyl)-2-chloro-6-methoxyphenol?
The InChIKey is JMPULILCFVHCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-14-9-6-7(3-2-4-12)5-8(11)10(9)13/h2-3,5-6,13H,4,12H2,1H3.
What are the key properties of 4-(3-aminoprop-1-enyl)-2-chloro-6-methoxyphenol?
4-(3-aminoprop-1-enyl)-2-chloro-6-methoxyphenol has a molecular weight of 213.66 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoprop-1-enyl)-2-chloro-6-methoxyphenol is sourced from PubChem (CID 169464704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).