2-[[amino(methyl)amino]methyl]-4-chlorophenol

C8H11ClN2O — CID 130033260

IUPAC2-[[amino(methyl)amino]methyl]-4-chlorophenol
SMILESCN(N)Cc1cc(Cl)ccc1O
InChIInChI=1S/C8H11ClN2O/c1-11(10)5-6-4-7(9)2-3-8(6)12/h2-4,12H,5,10H2,1H3
InChIKeySFDPJCGPYZPAQA-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.35
Rot. Bonds2

About 2-[[amino(methyl)amino]methyl]-4-chlorophenol

2-[[amino(methyl)amino]methyl]-4-chlorophenol (PubChem CID 130033260) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 2-[[amino(methyl)amino]methyl]-4-chlorophenol.

Molecular Properties

Compound Name2-[[amino(methyl)amino]methyl]-4-chlorophenol
PubChem CID130033260
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name2-[[amino(methyl)amino]methyl]-4-chlorophenol
SMILESCN(N)Cc1cc(Cl)ccc1O
InChIInChI=1S/C8H11ClN2O/c1-11(10)5-6-4-7(9)2-3-8(6)12/h2-4,12H,5,10H2,1H3
InChIKeySFDPJCGPYZPAQA-UHFFFAOYSA-N
XLogP1.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-aminoethyl(methyl)amino]methyl]-4-chlorophenol
CID 62682725
1-[(2,4-dichlorophenyl)methyl]-1-methylhydrazine
CID 82282939
4-chloro-2-[(dipropylamino)methyl]phenol
CID 82977690
2-[[(4-aminocyclohexyl)-methylamino]methyl]-4-chlorophenol
CID 79114977
4-chloro-2-[(N,3,5-trimethylanilino)methyl]phenol
CID 82978606
4-chloro-2-[[2-methoxyethyl(methyl)amino]methyl]phenol
CID 46840087
4-chloro-2-(2-methylprop-2-enyl)phenol
CID 57370913
2-(bromomethyl)-4-chlorophenol
CID 67740326
4-chloro-2-[[methyl(oxan-4-yl)amino]methyl]phenol
CID 82977579
4-[(5-chloro-2-hydroxyphenyl)methyl-methylamino]butanoic acid
CID 65068329
4-chloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,2-diol
CID 171689350
4-chloro-2-[(2-methoxy-N-methylanilino)methyl]phenol
CID 82978276

Frequently Asked Questions

What is the IUPAC name of 2-[[amino(methyl)amino]methyl]-4-chlorophenol?
The IUPAC name of 2-[[amino(methyl)amino]methyl]-4-chlorophenol (CID 130033260) is 2-[[amino(methyl)amino]methyl]-4-chlorophenol.
What is the SMILES notation for 2-[[amino(methyl)amino]methyl]-4-chlorophenol?
The canonical SMILES for 2-[[amino(methyl)amino]methyl]-4-chlorophenol is CN(N)Cc1cc(Cl)ccc1O.
What is the InChIKey of 2-[[amino(methyl)amino]methyl]-4-chlorophenol?
The InChIKey is SFDPJCGPYZPAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-11(10)5-6-4-7(9)2-3-8(6)12/h2-4,12H,5,10H2,1H3.
What are the key properties of 2-[[amino(methyl)amino]methyl]-4-chlorophenol?
2-[[amino(methyl)amino]methyl]-4-chlorophenol has a molecular weight of 186.64 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(methyl)amino]methyl]-4-chlorophenol is sourced from PubChem (CID 130033260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).