[5-chloro-2-(N-ethyl-4-methylanilino)phenyl]methanol

C16H18ClNO — CID 114845519

IUPAC[5-chloro-2-(N-ethyl-4-methylanilino)phenyl]methanol
SMILESCCN(c1ccc(C)cc1)c1ccc(Cl)cc1CO
InChIInChI=1S/C16H18ClNO/c1-3-18(15-7-4-12(2)5-8-15)16-9-6-14(17)10-13(16)11-19/h4-10,19H,3,11H2,1-2H3
InChIKeyBDZPZKJFNBRQLO-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.30
Rot. Bonds4

About [5-chloro-2-(N-ethyl-4-methylanilino)phenyl]methanol

[5-chloro-2-(N-ethyl-4-methylanilino)phenyl]methanol (PubChem CID 114845519) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is [5-chloro-2-(N-ethyl-4-methylanilino)phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-(N-ethyl-4-methylanilino)phenyl]methanol
PubChem CID114845519
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name[5-chloro-2-(N-ethyl-4-methylanilino)phenyl]methanol
SMILESCCN(c1ccc(C)cc1)c1ccc(Cl)cc1CO
InChIInChI=1S/C16H18ClNO/c1-3-18(15-7-4-12(2)5-8-15)16-9-6-14(17)10-13(16)11-19/h4-10,19H,3,11H2,1-2H3
InChIKeyBDZPZKJFNBRQLO-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-chloro-2-(N-ethyl-3-methylanilino)phenyl]methanol
CID 114845295
5-chloro-2-(N-ethyl-4-methylanilino)benzonitrile
CID 63512322
5-chloro-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline
CID 114850462
[4-(N-ethyl-4-methylanilino)-3-methylphenyl]methanol
CID 62122401
4-chloro-2-(chloromethyl)-N-ethyl-N-(3-methylphenyl)aniline
CID 114846438
2-(2-aminoethyl)-4-chloro-N-ethyl-N-phenylaniline
CID 114860392
4-chloro-N-ethyl-2-(ethylaminomethyl)-N-(3-methylphenyl)aniline
CID 114848692
2-(2-aminopropyl)-4-chloro-N-ethyl-N-(4-fluorophenyl)aniline
CID 114861142
[5-chloro-2-[cyclopropyl(methyl)amino]phenyl]methanol
CID 114845206
[5-chloro-2-[methyl(propan-2-yl)amino]phenyl]methanol
CID 114845155
4-(N-ethyl-4-methylanilino)-3-fluorobenzonitrile
CID 63511993
1-N-ethyl-2-methyl-1-N-(4-methylphenyl)benzene-1,4-diamine
CID 62003547

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(N-ethyl-4-methylanilino)phenyl]methanol?
The IUPAC name of [5-chloro-2-(N-ethyl-4-methylanilino)phenyl]methanol (CID 114845519) is [5-chloro-2-(N-ethyl-4-methylanilino)phenyl]methanol.
What is the SMILES notation for [5-chloro-2-(N-ethyl-4-methylanilino)phenyl]methanol?
The canonical SMILES for [5-chloro-2-(N-ethyl-4-methylanilino)phenyl]methanol is CCN(c1ccc(C)cc1)c1ccc(Cl)cc1CO.
What is the InChIKey of [5-chloro-2-(N-ethyl-4-methylanilino)phenyl]methanol?
The InChIKey is BDZPZKJFNBRQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-3-18(15-7-4-12(2)5-8-15)16-9-6-14(17)10-13(16)11-19/h4-10,19H,3,11H2,1-2H3.
What are the key properties of [5-chloro-2-(N-ethyl-4-methylanilino)phenyl]methanol?
[5-chloro-2-(N-ethyl-4-methylanilino)phenyl]methanol has a molecular weight of 275.78 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(N-ethyl-4-methylanilino)phenyl]methanol is sourced from PubChem (CID 114845519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).