[2-chloro-6-[3-(dimethylamino)propoxy]phenyl]methanol

C12H18ClNO2 — CID 114525693

IUPAC[2-chloro-6-[3-(dimethylamino)propoxy]phenyl]methanol
SMILESCN(C)CCCOc1cccc(Cl)c1CO
InChIInChI=1S/C12H18ClNO2/c1-14(2)7-4-8-16-12-6-3-5-11(13)10(12)9-15/h3,5-6,15H,4,7-9H2,1-2H3
InChIKeyYFLHMAQKLUBQRK-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.16
Rot. Bonds6

About [2-chloro-6-[3-(dimethylamino)propoxy]phenyl]methanol

[2-chloro-6-[3-(dimethylamino)propoxy]phenyl]methanol (PubChem CID 114525693) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is [2-chloro-6-[3-(dimethylamino)propoxy]phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-[3-(dimethylamino)propoxy]phenyl]methanol
PubChem CID114525693
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name[2-chloro-6-[3-(dimethylamino)propoxy]phenyl]methanol
SMILESCN(C)CCCOc1cccc(Cl)c1CO
InChIInChI=1S/C12H18ClNO2/c1-14(2)7-4-8-16-12-6-3-5-11(13)10(12)9-15/h3,5-6,15H,4,7-9H2,1-2H3
InChIKeyYFLHMAQKLUBQRK-UHFFFAOYSA-N
XLogP2.16
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-chloro-2-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
CID 114320455
(2-chloro-6-pent-4-enoxyphenyl)methanol
CID 114320409
2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 114318958
N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]propan-2-amine
CID 114319605
[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]methanol
CID 114320498
N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclopropanamine
CID 113276682
3-[3-chloro-2-(hydroxymethyl)phenoxy]propane-1,2-diol
CID 82850685
(2-chloro-6-pentan-3-yloxyphenyl)methanol
CID 114320524
[2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methanol
CID 114320427
[2-chloro-6-[2-(4-nitrophenyl)ethoxy]phenyl]methanol
CID 114320497
3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine
CID 5262075
N,N-dimethyl-3-(2-phenylphenoxy)propan-1-amine
CID 2184471

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-[3-(dimethylamino)propoxy]phenyl]methanol?
The IUPAC name of [2-chloro-6-[3-(dimethylamino)propoxy]phenyl]methanol (CID 114525693) is [2-chloro-6-[3-(dimethylamino)propoxy]phenyl]methanol.
What is the SMILES notation for [2-chloro-6-[3-(dimethylamino)propoxy]phenyl]methanol?
The canonical SMILES for [2-chloro-6-[3-(dimethylamino)propoxy]phenyl]methanol is CN(C)CCCOc1cccc(Cl)c1CO.
What is the InChIKey of [2-chloro-6-[3-(dimethylamino)propoxy]phenyl]methanol?
The InChIKey is YFLHMAQKLUBQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-14(2)7-4-8-16-12-6-3-5-11(13)10(12)9-15/h3,5-6,15H,4,7-9H2,1-2H3.
What are the key properties of [2-chloro-6-[3-(dimethylamino)propoxy]phenyl]methanol?
[2-chloro-6-[3-(dimethylamino)propoxy]phenyl]methanol has a molecular weight of 243.73 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-[3-(dimethylamino)propoxy]phenyl]methanol is sourced from PubChem (CID 114525693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).