2-chloro-6-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol

C14H22ClNO2 — CID 82976773

IUPAC2-chloro-6-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol
SMILESCCC(CC)N(C)Cc1cc(Cl)c(O)c(OC)c1
InChIInChI=1S/C14H22ClNO2/c1-5-11(6-2)16(3)9-10-7-12(15)14(17)13(8-10)18-4/h7-8,11,17H,5-6,9H2,1-4H3
InChIKeyRCVYRZDHNJPSAN-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.67
Rot. Bonds6

About 2-chloro-6-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol

2-chloro-6-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol (PubChem CID 82976773) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 2-chloro-6-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol
PubChem CID82976773
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name2-chloro-6-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol
SMILESCCC(CC)N(C)Cc1cc(Cl)c(O)c(OC)c1
InChIInChI=1S/C14H22ClNO2/c1-5-11(6-2)16(3)9-10-7-12(15)14(17)13(8-10)18-4/h7-8,11,17H,5-6,9H2,1-4H3
InChIKeyRCVYRZDHNJPSAN-UHFFFAOYSA-N
XLogP3.67
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-methoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 113436169
2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-6-methoxyphenol
CID 82981074
2-chloro-6-methoxy-4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol
CID 82983833
2-bromo-6-ethoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82977073
2-chloro-6-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]phenol
CID 82977675
4-[(dimethylamino)methyl]-2,6-dimethoxyphenol
CID 10066574
2-chloro-6-methoxy-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol
CID 82979703
2-chloro-6-methoxy-4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol
CID 82958065
2-methoxy-5-[[methyl(pentan-3-yl)amino]methyl]benzoic acid
CID 65339124
2-bromo-6-methoxy-4-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol
CID 82982146
2-chloro-5-[[hydroxy(methyl)amino]methyl]-3-methoxyphenol
CID 84785748
2-bromo-6-methoxy-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]phenol
CID 82966035

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol?
The IUPAC name of 2-chloro-6-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol (CID 82976773) is 2-chloro-6-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol.
What is the SMILES notation for 2-chloro-6-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol?
The canonical SMILES for 2-chloro-6-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol is CCC(CC)N(C)Cc1cc(Cl)c(O)c(OC)c1.
What is the InChIKey of 2-chloro-6-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol?
The InChIKey is RCVYRZDHNJPSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-5-11(6-2)16(3)9-10-7-12(15)14(17)13(8-10)18-4/h7-8,11,17H,5-6,9H2,1-4H3.
What are the key properties of 2-chloro-6-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol?
2-chloro-6-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol has a molecular weight of 271.79 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol is sourced from PubChem (CID 82976773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).