2-chloro-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]phenol

C13H20ClNO2 — CID 112553496

IUPAC2-chloro-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]phenol
SMILESCCN(Cc1cccc(Cl)c1O)C(C)COC
InChIInChI=1S/C13H20ClNO2/c1-4-15(10(2)9-17-3)8-11-6-5-7-12(14)13(11)16/h5-7,10,16H,4,8-9H2,1-3H3
InChIKeyMKJVJASCQWSNHD-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.90
Rot. Bonds6

About 2-chloro-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]phenol

2-chloro-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]phenol (PubChem CID 112553496) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 2-chloro-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]phenol
PubChem CID112553496
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name2-chloro-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]phenol
SMILESCCN(Cc1cccc(Cl)c1O)C(C)COC
InChIInChI=1S/C13H20ClNO2/c1-4-15(10(2)9-17-3)8-11-6-5-7-12(14)13(11)16/h5-7,10,16H,4,8-9H2,1-3H3
InChIKeyMKJVJASCQWSNHD-UHFFFAOYSA-N
XLogP2.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-6-fluorophenol
CID 112616142
2-chloro-6-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenol
CID 112616395
3-chloro-2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]aniline
CID 63747634
2-chloro-6-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol
CID 112553488
2-chloro-6-[[2-hydroxyethyl(propan-2-yl)amino]methyl]phenol
CID 115903812
2-chloro-6-[(1-methoxybutan-2-ylamino)methyl]phenol
CID 112554908
N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-1-methoxypropan-2-amine
CID 104513659
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-6-methylphenol
CID 112553492
3-[(2,3-dichlorophenyl)methyl-ethylamino]butanoic acid
CID 65060850
2-[[ethyl(propan-2-yl)amino]methyl]-6-fluorophenol
CID 112616088
2-chloro-6-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]phenol
CID 103275864
2-ethoxy-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol
CID 82982222

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]phenol?
The IUPAC name of 2-chloro-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]phenol (CID 112553496) is 2-chloro-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]phenol.
What is the SMILES notation for 2-chloro-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]phenol?
The canonical SMILES for 2-chloro-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]phenol is CCN(Cc1cccc(Cl)c1O)C(C)COC.
What is the InChIKey of 2-chloro-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]phenol?
The InChIKey is MKJVJASCQWSNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-4-15(10(2)9-17-3)8-11-6-5-7-12(14)13(11)16/h5-7,10,16H,4,8-9H2,1-3H3.
What are the key properties of 2-chloro-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]phenol?
2-chloro-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]phenol has a molecular weight of 257.76 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]phenol is sourced from PubChem (CID 112553496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).