2-[4-(N-ethyl-3-methylanilino)-3-methylphenyl]ethanol

C18H23NO — CID 95473071

IUPAC2-[4-(N-ethyl-3-methylanilino)-3-methylphenyl]ethanol
SMILESCCN(c1cccc(C)c1)c1ccc(CCO)cc1C
InChIInChI=1S/C18H23NO/c1-4-19(17-7-5-6-14(2)12-17)18-9-8-16(10-11-20)13-15(18)3/h5-9,12-13,20H,4,10-11H2,1-3H3
InChIKeyRBVOROKWWJZDEU-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.00
Rot. Bonds5

About 2-[4-(N-ethyl-3-methylanilino)-3-methylphenyl]ethanol

2-[4-(N-ethyl-3-methylanilino)-3-methylphenyl]ethanol (PubChem CID 95473071) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[4-(N-ethyl-3-methylanilino)-3-methylphenyl]ethanol.

Molecular Properties

Compound Name2-[4-(N-ethyl-3-methylanilino)-3-methylphenyl]ethanol
PubChem CID95473071
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-[4-(N-ethyl-3-methylanilino)-3-methylphenyl]ethanol
SMILESCCN(c1cccc(C)c1)c1ccc(CCO)cc1C
InChIInChI=1S/C18H23NO/c1-4-19(17-7-5-6-14(2)12-17)18-9-8-16(10-11-20)13-15(18)3/h5-9,12-13,20H,4,10-11H2,1-3H3
InChIKeyRBVOROKWWJZDEU-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-(N-ethyl-3-methylanilino)-3-methylphenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;N-ethyl-2-methyl-N-(3-methylphenyl)aniline
CID 142266780
4-(2-aminoethyl)-N-ethyl-N-(3-fluorophenyl)-2-methylaniline
CID 63786177
[4-(N-ethyl-4-methylanilino)-3-methylphenyl]methanol
CID 62122401
2-[4-(N-(3-methylphenyl)anilino)phenyl]ethanol
CID 70214853
[5-chloro-2-(N-ethyl-3-methylanilino)phenyl]methanol
CID 114845295
N-ethyl-N-(3-fluorophenyl)-2-methyl-4-(methylaminomethyl)aniline
CID 62122777
2-(bromomethyl)-N-ethyl-N-(3-methylphenyl)aniline
CID 107080798
2-chloro-4-N-ethyl-5-methyl-4-N-(3-methylphenyl)benzene-1,4-diamine
CID 115554643
2-(N-ethyl-3-methylanilino)-5-methylbenzaldehyde
CID 114054158
N-ethyl-N-[4-(ethylaminomethyl)phenyl]-3-methylaniline
CID 63550597
N-ethyl-4-(ethylaminomethyl)-2-methyl-N-(4-methylphenyl)aniline
CID 63551214
3-bromo-4-(N-ethyl-3-methylanilino)benzoic acid
CID 82800688

Frequently Asked Questions

What is the IUPAC name of 2-[4-(N-ethyl-3-methylanilino)-3-methylphenyl]ethanol?
The IUPAC name of 2-[4-(N-ethyl-3-methylanilino)-3-methylphenyl]ethanol (CID 95473071) is 2-[4-(N-ethyl-3-methylanilino)-3-methylphenyl]ethanol.
What is the SMILES notation for 2-[4-(N-ethyl-3-methylanilino)-3-methylphenyl]ethanol?
The canonical SMILES for 2-[4-(N-ethyl-3-methylanilino)-3-methylphenyl]ethanol is CCN(c1cccc(C)c1)c1ccc(CCO)cc1C.
What is the InChIKey of 2-[4-(N-ethyl-3-methylanilino)-3-methylphenyl]ethanol?
The InChIKey is RBVOROKWWJZDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-19(17-7-5-6-14(2)12-17)18-9-8-16(10-11-20)13-15(18)3/h5-9,12-13,20H,4,10-11H2,1-3H3.
What are the key properties of 2-[4-(N-ethyl-3-methylanilino)-3-methylphenyl]ethanol?
2-[4-(N-ethyl-3-methylanilino)-3-methylphenyl]ethanol has a molecular weight of 269.39 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(N-ethyl-3-methylanilino)-3-methylphenyl]ethanol is sourced from PubChem (CID 95473071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).