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

C9H12ClNO — CID 58911429

IUPAC3-chloro-4-[(dimethylamino)methyl]phenol
SMILESCN(C)Cc1ccc(O)cc1Cl
InChIInChI=1S/C9H12ClNO/c1-11(2)6-7-3-4-8(12)5-9(7)10/h3-5,12H,6H2,1-2H3
InChIKeyMVVZFEOOJBPGBW-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.11
Rot. Bonds2

About 3-chloro-4-[(dimethylamino)methyl]phenol

3-chloro-4-[(dimethylamino)methyl]phenol (PubChem CID 58911429) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 3-chloro-4-[(dimethylamino)methyl]phenol.

Molecular Properties

Compound Name3-chloro-4-[(dimethylamino)methyl]phenol
PubChem CID58911429
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name3-chloro-4-[(dimethylamino)methyl]phenol
SMILESCN(C)Cc1ccc(O)cc1Cl
InChIInChI=1S/C9H12ClNO/c1-11(2)6-7-3-4-8(12)5-9(7)10/h3-5,12H,6H2,1-2H3
InChIKeyMVVZFEOOJBPGBW-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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Related Compounds

3-chloro-4-[(dimethylamino)methyl]aniline;dihydrochloride
CID 52983627
4-(aminomethyl)-3-chlorophenol;dihydrochloride
CID 133059883
3-chloro-4-[(dimethylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 102666795
[3-chloro-4-[(dimethylamino)methyl]phenyl]urea
CID 144820176
N-[3-chloro-4-[(dimethylamino)methyl]phenyl]-3-(3-hydroxyphenyl)propanamide
CID 166262978
1-(2,5-dichlorophenyl)-N,N-dimethylmethanamine
CID 130557512
3-chloro-4-(propan-2-ylsulfanylmethyl)phenol
CID 117219843
3-chloro-4-prop-2-enylphenol
CID 70565458
3,5-dichloro-4-[2-(2-chloro-4-hydroxyphenyl)ethyl]phenol
CID 10686994
[2-[(dimethylamino)methyl]-4-hydroxyphenoxy]boronic acid
CID 142763022
4-chloro-2,6-bis[(dimethylamino)methyl]phenol;dihydrochloride
CID 131844775
3-chloro-4-[(4-hydroxyphenoxy)methyl]phenol
CID 117219716

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(dimethylamino)methyl]phenol?
The IUPAC name of 3-chloro-4-[(dimethylamino)methyl]phenol (CID 58911429) is 3-chloro-4-[(dimethylamino)methyl]phenol.
What is the SMILES notation for 3-chloro-4-[(dimethylamino)methyl]phenol?
The canonical SMILES for 3-chloro-4-[(dimethylamino)methyl]phenol is CN(C)Cc1ccc(O)cc1Cl.
What is the InChIKey of 3-chloro-4-[(dimethylamino)methyl]phenol?
The InChIKey is MVVZFEOOJBPGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-11(2)6-7-3-4-8(12)5-9(7)10/h3-5,12H,6H2,1-2H3.
What are the key properties of 3-chloro-4-[(dimethylamino)methyl]phenol?
3-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 3-chloro-4-[(dimethylamino)methyl]phenol is sourced from PubChem (CID 58911429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).