2-chloro-4-[(dimethylamino)methyl]phenol

C9H12ClNO — CID 4289948

IUPAC2-chloro-4-[(dimethylamino)methyl]phenol
SMILESCN(C)Cc1ccc(O)c(Cl)c1
InChIInChI=1S/C9H12ClNO/c1-11(2)6-7-3-4-9(12)8(10)5-7/h3-5,12H,6H2,1-2H3
InChIKeyRQTXMJKREXXVNP-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.11
Rot. Bonds2

About 2-chloro-4-[(dimethylamino)methyl]phenol

2-chloro-4-[(dimethylamino)methyl]phenol (PubChem CID 4289948) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 2-chloro-4-[(dimethylamino)methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[(dimethylamino)methyl]phenol
PubChem CID4289948
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name2-chloro-4-[(dimethylamino)methyl]phenol
SMILESCN(C)Cc1ccc(O)c(Cl)c1
InChIInChI=1S/C9H12ClNO/c1-11(2)6-7-3-4-9(12)8(10)5-7/h3-5,12H,6H2,1-2H3
InChIKeyRQTXMJKREXXVNP-UHFFFAOYSA-N
XLogP2.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.11
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]phenol?
The IUPAC name of 2-chloro-4-[(dimethylamino)methyl]phenol (CID 4289948) is 2-chloro-4-[(dimethylamino)methyl]phenol.
What is the SMILES notation for 2-chloro-4-[(dimethylamino)methyl]phenol?
The canonical SMILES for 2-chloro-4-[(dimethylamino)methyl]phenol is CN(C)Cc1ccc(O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[(dimethylamino)methyl]phenol?
The InChIKey is RQTXMJKREXXVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-11(2)6-7-3-4-9(12)8(10)5-7/h3-5,12H,6H2,1-2H3.
What are the key properties of 2-chloro-4-[(dimethylamino)methyl]phenol?
2-chloro-4-[(dimethylamino)methyl]phenol has a molecular weight of 185.65 g/mol, XLogP of 2.11, 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]phenol is sourced from PubChem (CID 4289948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).