2-chloro-4-[(dimethylamino)methyl]-6-methylphenol

C10H14ClNO — CID 3068125

IUPAC2-chloro-4-[(dimethylamino)methyl]-6-methylphenol
SMILESCc1cc(CN(C)C)cc(Cl)c1O
InChIInChI=1S/C10H14ClNO/c1-7-4-8(6-12(2)3)5-9(11)10(7)13/h4-5,13H,6H2,1-3H3
InChIKeyGRRSSGXAKVJEDK-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.42
Rot. Bonds2

About 2-chloro-4-[(dimethylamino)methyl]-6-methylphenol

2-chloro-4-[(dimethylamino)methyl]-6-methylphenol (PubChem CID 3068125) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-chloro-4-[(dimethylamino)methyl]-6-methylphenol.

Molecular Properties

Compound Name2-chloro-4-[(dimethylamino)methyl]-6-methylphenol
PubChem CID3068125
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-chloro-4-[(dimethylamino)methyl]-6-methylphenol
SMILESCc1cc(CN(C)C)cc(Cl)c1O
InChIInChI=1S/C10H14ClNO/c1-7-4-8(6-12(2)3)5-9(11)10(7)13/h4-5,13H,6H2,1-3H3
InChIKeyGRRSSGXAKVJEDK-UHFFFAOYSA-N
XLogP2.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(dimethylamino)methyl]-6-methylphenol?
The IUPAC name of 2-chloro-4-[(dimethylamino)methyl]-6-methylphenol (CID 3068125) is 2-chloro-4-[(dimethylamino)methyl]-6-methylphenol.
What is the SMILES notation for 2-chloro-4-[(dimethylamino)methyl]-6-methylphenol?
The canonical SMILES for 2-chloro-4-[(dimethylamino)methyl]-6-methylphenol is Cc1cc(CN(C)C)cc(Cl)c1O.
What is the InChIKey of 2-chloro-4-[(dimethylamino)methyl]-6-methylphenol?
The InChIKey is GRRSSGXAKVJEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-7-4-8(6-12(2)3)5-9(11)10(7)13/h4-5,13H,6H2,1-3H3.
What are the key properties of 2-chloro-4-[(dimethylamino)methyl]-6-methylphenol?
2-chloro-4-[(dimethylamino)methyl]-6-methylphenol has a molecular weight of 199.68 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(dimethylamino)methyl]-6-methylphenol is sourced from PubChem (CID 3068125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).