[3-[(N-ethyl-3,4-dimethylanilino)methyl]phenyl]methanol

C18H23NO — CID 118349176

IUPAC[3-[(N-ethyl-3,4-dimethylanilino)methyl]phenyl]methanol
SMILESCCN(Cc1cccc(CO)c1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H23NO/c1-4-19(18-9-8-14(2)15(3)10-18)12-16-6-5-7-17(11-16)13-20/h5-11,20H,4,12-13H2,1-3H3
InChIKeyVKWOPQSBOMBZTH-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.82
Rot. Bonds5

About [3-[(N-ethyl-3,4-dimethylanilino)methyl]phenyl]methanol

[3-[(N-ethyl-3,4-dimethylanilino)methyl]phenyl]methanol (PubChem CID 118349176) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is [3-[(N-ethyl-3,4-dimethylanilino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[(N-ethyl-3,4-dimethylanilino)methyl]phenyl]methanol
PubChem CID118349176
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name[3-[(N-ethyl-3,4-dimethylanilino)methyl]phenyl]methanol
SMILESCCN(Cc1cccc(CO)c1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H23NO/c1-4-19(18-9-8-14(2)15(3)10-18)12-16-6-5-7-17(11-16)13-20/h5-11,20H,4,12-13H2,1-3H3
InChIKeyVKWOPQSBOMBZTH-UHFFFAOYSA-N
XLogP3.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[(N-ethyl-3,4-dimethylanilino)methyl]phenyl]methanol?
The IUPAC name of [3-[(N-ethyl-3,4-dimethylanilino)methyl]phenyl]methanol (CID 118349176) is [3-[(N-ethyl-3,4-dimethylanilino)methyl]phenyl]methanol.
What is the SMILES notation for [3-[(N-ethyl-3,4-dimethylanilino)methyl]phenyl]methanol?
The canonical SMILES for [3-[(N-ethyl-3,4-dimethylanilino)methyl]phenyl]methanol is CCN(Cc1cccc(CO)c1)c1ccc(C)c(C)c1.
What is the InChIKey of [3-[(N-ethyl-3,4-dimethylanilino)methyl]phenyl]methanol?
The InChIKey is VKWOPQSBOMBZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-19(18-9-8-14(2)15(3)10-18)12-16-6-5-7-17(11-16)13-20/h5-11,20H,4,12-13H2,1-3H3.
What are the key properties of [3-[(N-ethyl-3,4-dimethylanilino)methyl]phenyl]methanol?
[3-[(N-ethyl-3,4-dimethylanilino)methyl]phenyl]methanol has a molecular weight of 269.39 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(N-ethyl-3,4-dimethylanilino)methyl]phenyl]methanol is sourced from PubChem (CID 118349176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).