[3-[(3-chloro-N-ethyl-4-methylanilino)methyl]phenyl]methanol

C17H20ClNO — CID 118349184

IUPAC[3-[(3-chloro-N-ethyl-4-methylanilino)methyl]phenyl]methanol
SMILESCCN(Cc1cccc(CO)c1)c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H20ClNO/c1-3-19(16-8-7-13(2)17(18)10-16)11-14-5-4-6-15(9-14)12-20/h4-10,20H,3,11-12H2,1-2H3
InChIKeyZEAJLFQYVQQSED-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.17
Rot. Bonds5

About [3-[(3-chloro-N-ethyl-4-methylanilino)methyl]phenyl]methanol

[3-[(3-chloro-N-ethyl-4-methylanilino)methyl]phenyl]methanol (PubChem CID 118349184) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is [3-[(3-chloro-N-ethyl-4-methylanilino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[(3-chloro-N-ethyl-4-methylanilino)methyl]phenyl]methanol
PubChem CID118349184
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name[3-[(3-chloro-N-ethyl-4-methylanilino)methyl]phenyl]methanol
SMILESCCN(Cc1cccc(CO)c1)c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H20ClNO/c1-3-19(16-8-7-13(2)17(18)10-16)11-14-5-4-6-15(9-14)12-20/h4-10,20H,3,11-12H2,1-2H3
InChIKeyZEAJLFQYVQQSED-UHFFFAOYSA-N
XLogP4.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[(3-chloro-N-ethyl-4-methylanilino)methyl]phenyl]methanol?
The IUPAC name of [3-[(3-chloro-N-ethyl-4-methylanilino)methyl]phenyl]methanol (CID 118349184) is [3-[(3-chloro-N-ethyl-4-methylanilino)methyl]phenyl]methanol.
What is the SMILES notation for [3-[(3-chloro-N-ethyl-4-methylanilino)methyl]phenyl]methanol?
The canonical SMILES for [3-[(3-chloro-N-ethyl-4-methylanilino)methyl]phenyl]methanol is CCN(Cc1cccc(CO)c1)c1ccc(C)c(Cl)c1.
What is the InChIKey of [3-[(3-chloro-N-ethyl-4-methylanilino)methyl]phenyl]methanol?
The InChIKey is ZEAJLFQYVQQSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-3-19(16-8-7-13(2)17(18)10-16)11-14-5-4-6-15(9-14)12-20/h4-10,20H,3,11-12H2,1-2H3.
What are the key properties of [3-[(3-chloro-N-ethyl-4-methylanilino)methyl]phenyl]methanol?
[3-[(3-chloro-N-ethyl-4-methylanilino)methyl]phenyl]methanol has a molecular weight of 289.81 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chloro-N-ethyl-4-methylanilino)methyl]phenyl]methanol is sourced from PubChem (CID 118349184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).