4-chloro-3,5-dimethoxy-2-(methylaminomethyl)phenol

C10H14ClNO3 — CID 84795051

IUPAC4-chloro-3,5-dimethoxy-2-(methylaminomethyl)phenol
SMILESCNCc1c(O)cc(OC)c(Cl)c1OC
InChIInChI=1S/C10H14ClNO3/c1-12-5-6-7(13)4-8(14-2)9(11)10(6)15-3/h4,12-13H,5H2,1-3H3
InChIKeyPBQVNUYXJHAJAS-UHFFFAOYSA-N
MW231.68 g/mol
LogP1.78
Rot. Bonds4

About 4-chloro-3,5-dimethoxy-2-(methylaminomethyl)phenol

4-chloro-3,5-dimethoxy-2-(methylaminomethyl)phenol (PubChem CID 84795051) has the molecular formula C10H14ClNO3 and a molecular weight of 231.68 g/mol. Its IUPAC name is 4-chloro-3,5-dimethoxy-2-(methylaminomethyl)phenol.

Molecular Properties

Compound Name4-chloro-3,5-dimethoxy-2-(methylaminomethyl)phenol
PubChem CID84795051
Molecular FormulaC10H14ClNO3
Molecular Weight231.68 g/mol
Exact Mass231.07
IUPAC Name4-chloro-3,5-dimethoxy-2-(methylaminomethyl)phenol
SMILESCNCc1c(O)cc(OC)c(Cl)c1OC
InChIInChI=1S/C10H14ClNO3/c1-12-5-6-7(13)4-8(14-2)9(11)10(6)15-3/h4,12-13H,5H2,1-3H3
InChIKeyPBQVNUYXJHAJAS-UHFFFAOYSA-N
XLogP1.78
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-3,5-dimethoxyphenol
CID 154103285
2-chloro-3-methoxy-5-(methylaminomethyl)phenol
CID 84776504
1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)-N-methylmethanamine
CID 84697228
3-chloro-6-hydroxy-2,4-dimethoxybenzaldehyde
CID 12652203
1-(2,5-dichloro-3-fluoro-6-methoxyphenyl)-N-methylmethanamine
CID 83897923
1-(2-chloro-3,4-dimethoxyphenyl)-N-methylmethanamine
CID 63626727
3,4,5-trimethoxy-2-(methylaminomethyl)benzenethiol
CID 59270323
1-(2-chloro-6-methoxy-4-methylphenyl)-N-methylmethanamine
CID 84775565
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 521855
3-fluoro-5-methoxy-4-(methylaminomethyl)phenol
CID 84769612
3-(2-chloro-3-hydroxy-5,6-dimethoxyphenyl)propanoic acid
CID 117406006
3-[(1-aminocyclopropyl)methyl]-2-chloro-4,5-dimethoxyphenol
CID 117397604

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3,5-dimethoxy-2-(methylaminomethyl)phenol?
The IUPAC name of 4-chloro-3,5-dimethoxy-2-(methylaminomethyl)phenol (CID 84795051) is 4-chloro-3,5-dimethoxy-2-(methylaminomethyl)phenol.
What is the SMILES notation for 4-chloro-3,5-dimethoxy-2-(methylaminomethyl)phenol?
The canonical SMILES for 4-chloro-3,5-dimethoxy-2-(methylaminomethyl)phenol is CNCc1c(O)cc(OC)c(Cl)c1OC.
What is the InChIKey of 4-chloro-3,5-dimethoxy-2-(methylaminomethyl)phenol?
The InChIKey is PBQVNUYXJHAJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3/c1-12-5-6-7(13)4-8(14-2)9(11)10(6)15-3/h4,12-13H,5H2,1-3H3.
What are the key properties of 4-chloro-3,5-dimethoxy-2-(methylaminomethyl)phenol?
4-chloro-3,5-dimethoxy-2-(methylaminomethyl)phenol has a molecular weight of 231.68 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3,5-dimethoxy-2-(methylaminomethyl)phenol is sourced from PubChem (CID 84795051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).