2-chloro-3-methoxy-5-(methylaminomethyl)phenol

C9H12ClNO2 — CID 84776504

IUPAC2-chloro-3-methoxy-5-(methylaminomethyl)phenol
SMILESCNCc1cc(O)c(Cl)c(OC)c1
InChIInChI=1S/C9H12ClNO2/c1-11-5-6-3-7(12)9(10)8(4-6)13-2/h3-4,11-12H,5H2,1-2H3
InChIKeyNVWWPEQXDNDQMT-UHFFFAOYSA-N
MW201.65 g/mol
LogP1.77
Rot. Bonds3

About 2-chloro-3-methoxy-5-(methylaminomethyl)phenol

2-chloro-3-methoxy-5-(methylaminomethyl)phenol (PubChem CID 84776504) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 2-chloro-3-methoxy-5-(methylaminomethyl)phenol.

Molecular Properties

Compound Name2-chloro-3-methoxy-5-(methylaminomethyl)phenol
PubChem CID84776504
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name2-chloro-3-methoxy-5-(methylaminomethyl)phenol
SMILESCNCc1cc(O)c(Cl)c(OC)c1
InChIInChI=1S/C9H12ClNO2/c1-11-5-6-3-7(12)9(10)8(4-6)13-2/h3-4,11-12H,5H2,1-2H3
InChIKeyNVWWPEQXDNDQMT-UHFFFAOYSA-N
XLogP1.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[[hydroxy(methyl)amino]methyl]-3-methoxyphenol
CID 84785748
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 521855
4-chloro-3,5-dimethoxy-2-(methylaminomethyl)phenol
CID 84795051
4-chloro-5-methoxybenzene-1,3-diol
CID 130033872
3-(4-chloro-3-hydroxy-5-methoxyphenyl)-2-methylpropanoic acid
CID 84802661
1-(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)-N-methylmethanamine
CID 43276505
6-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol
CID 107702314
5-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]pentan-1-ol
CID 62227458
1-[4-(2,3-dichloroprop-2-enoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine
CID 79167417
2,4-dichloro-3,5-dimethoxyphenol
CID 154103285
methyl 2-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]acetate
CID 60889256
1-[3,5-dimethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine
CID 54936066

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methoxy-5-(methylaminomethyl)phenol?
The IUPAC name of 2-chloro-3-methoxy-5-(methylaminomethyl)phenol (CID 84776504) is 2-chloro-3-methoxy-5-(methylaminomethyl)phenol.
What is the SMILES notation for 2-chloro-3-methoxy-5-(methylaminomethyl)phenol?
The canonical SMILES for 2-chloro-3-methoxy-5-(methylaminomethyl)phenol is CNCc1cc(O)c(Cl)c(OC)c1.
What is the InChIKey of 2-chloro-3-methoxy-5-(methylaminomethyl)phenol?
The InChIKey is NVWWPEQXDNDQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2/c1-11-5-6-3-7(12)9(10)8(4-6)13-2/h3-4,11-12H,5H2,1-2H3.
What are the key properties of 2-chloro-3-methoxy-5-(methylaminomethyl)phenol?
2-chloro-3-methoxy-5-(methylaminomethyl)phenol has a molecular weight of 201.65 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methoxy-5-(methylaminomethyl)phenol is sourced from PubChem (CID 84776504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).