2-chloro-6-[(N-ethyl-4-methylanilino)methyl]phenol

C16H18ClNO — CID 112616167

IUPAC2-chloro-6-[(N-ethyl-4-methylanilino)methyl]phenol
SMILESCCN(Cc1cccc(Cl)c1O)c1ccc(C)cc1
InChIInChI=1S/C16H18ClNO/c1-3-18(14-9-7-12(2)8-10-14)11-13-5-4-6-15(17)16(13)19/h4-10,19H,3,11H2,1-2H3
InChIKeyWGGVKFVHEDHJQA-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.38
Rot. Bonds4

About 2-chloro-6-[(N-ethyl-4-methylanilino)methyl]phenol

2-chloro-6-[(N-ethyl-4-methylanilino)methyl]phenol (PubChem CID 112616167) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-chloro-6-[(N-ethyl-4-methylanilino)methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[(N-ethyl-4-methylanilino)methyl]phenol
PubChem CID112616167
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name2-chloro-6-[(N-ethyl-4-methylanilino)methyl]phenol
SMILESCCN(Cc1cccc(Cl)c1O)c1ccc(C)cc1
InChIInChI=1S/C16H18ClNO/c1-3-18(14-9-7-12(2)8-10-14)11-13-5-4-6-15(17)16(13)19/h4-10,19H,3,11H2,1-2H3
InChIKeyWGGVKFVHEDHJQA-UHFFFAOYSA-N
XLogP4.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-[(N-ethyl-4-methylanilino)methyl]phenol
CID 82982548
N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-4-methylaniline
CID 62003173
2,4-dichloro-6-[(N-ethylanilino)methyl]phenol
CID 82974543
3-[(N-ethyl-4-methylanilino)methyl]-2-fluoroaniline
CID 107347385
2-[(N-ethylanilino)methyl]-6-fluorophenol
CID 112616054
N'-[(2-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine
CID 28771393
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-ethyl-4-methylaniline
CID 102662903
2-chloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 112553506
N-[(2-chloro-5-nitrophenyl)methyl]-N-ethyl-4-methylaniline
CID 63479547
2-[(3-chloro-2-hydroxyphenyl)methyl-methylamino]-N,N-diethylacetamide
CID 112553294
2-chloro-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]phenol
CID 112553496
2-chloro-6-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol
CID 112553470

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(N-ethyl-4-methylanilino)methyl]phenol?
The IUPAC name of 2-chloro-6-[(N-ethyl-4-methylanilino)methyl]phenol (CID 112616167) is 2-chloro-6-[(N-ethyl-4-methylanilino)methyl]phenol.
What is the SMILES notation for 2-chloro-6-[(N-ethyl-4-methylanilino)methyl]phenol?
The canonical SMILES for 2-chloro-6-[(N-ethyl-4-methylanilino)methyl]phenol is CCN(Cc1cccc(Cl)c1O)c1ccc(C)cc1.
What is the InChIKey of 2-chloro-6-[(N-ethyl-4-methylanilino)methyl]phenol?
The InChIKey is WGGVKFVHEDHJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-3-18(14-9-7-12(2)8-10-14)11-13-5-4-6-15(17)16(13)19/h4-10,19H,3,11H2,1-2H3.
What are the key properties of 2-chloro-6-[(N-ethyl-4-methylanilino)methyl]phenol?
2-chloro-6-[(N-ethyl-4-methylanilino)methyl]phenol has a molecular weight of 275.78 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(N-ethyl-4-methylanilino)methyl]phenol is sourced from PubChem (CID 112616167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).