2-chloro-3-[[ethyl(methyl)amino]methyl]phenol

C10H14ClNO — CID 127011573

IUPAC2-chloro-3-[[ethyl(methyl)amino]methyl]phenol
SMILESCCN(C)Cc1cccc(O)c1Cl
InChIInChI=1S/C10H14ClNO/c1-3-12(2)7-8-5-4-6-9(13)10(8)11/h4-6,13H,3,7H2,1-2H3
InChIKeyYAWYVEMAVPIJMF-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.50
Rot. Bonds3

About 2-chloro-3-[[ethyl(methyl)amino]methyl]phenol

2-chloro-3-[[ethyl(methyl)amino]methyl]phenol (PubChem CID 127011573) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-chloro-3-[[ethyl(methyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-3-[[ethyl(methyl)amino]methyl]phenol
PubChem CID127011573
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-chloro-3-[[ethyl(methyl)amino]methyl]phenol
SMILESCCN(C)Cc1cccc(O)c1Cl
InChIInChI=1S/C10H14ClNO/c1-3-12(2)7-8-5-4-6-9(13)10(8)11/h4-6,13H,3,7H2,1-2H3
InChIKeyYAWYVEMAVPIJMF-UHFFFAOYSA-N
XLogP2.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-[(2-ethylphenyl)methyl]-N-methylethanamine
CID 143246363
N-[(2,6-dichlorophenyl)methyl]-N-methylethanamine
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CID 115259497
2-[[ethyl(methyl)amino]methyl]-4-[[3-[[ethyl(methyl)amino]methyl]-4-hydroxyphenyl]methyl]phenol
CID 163931349
N-[[2-[[ethyl(methyl)amino]methyl]phenyl]methyl]ethanamine
CID 62417230
6-[[(2,3-dichlorophenyl)methyl-methylamino]methyl]-1,3-benzodioxol-5-ol
CID 27080619
2-[[ethyl(methyl)amino]methyl]benzoic acid
CID 43473290
2-(2,3-dichlorophenyl)-N-ethyl-N-methylethanamine
CID 167249773
2-[(3-chloro-2-hydroxyphenyl)methyl-methylamino]-N,N-diethylacetamide
CID 112553294
2-chloro-3-[[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]methyl]phenol
CID 154859092
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
1-bromo-N-[(2,3-dichlorophenyl)methyl]-N-methylpropan-2-amine
CID 107310059

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[[ethyl(methyl)amino]methyl]phenol?
The IUPAC name of 2-chloro-3-[[ethyl(methyl)amino]methyl]phenol (CID 127011573) is 2-chloro-3-[[ethyl(methyl)amino]methyl]phenol.
What is the SMILES notation for 2-chloro-3-[[ethyl(methyl)amino]methyl]phenol?
The canonical SMILES for 2-chloro-3-[[ethyl(methyl)amino]methyl]phenol is CCN(C)Cc1cccc(O)c1Cl.
What is the InChIKey of 2-chloro-3-[[ethyl(methyl)amino]methyl]phenol?
The InChIKey is YAWYVEMAVPIJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-3-12(2)7-8-5-4-6-9(13)10(8)11/h4-6,13H,3,7H2,1-2H3.
What are the key properties of 2-chloro-3-[[ethyl(methyl)amino]methyl]phenol?
2-chloro-3-[[ethyl(methyl)amino]methyl]phenol has a molecular weight of 199.68 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[[ethyl(methyl)amino]methyl]phenol is sourced from PubChem (CID 127011573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).