1-(2-methylanilino)-3-(1-phenylethoxy)propan-2-ol

C18H23NO2 — CID 60902275

IUPAC1-(2-methylanilino)-3-(1-phenylethoxy)propan-2-ol
SMILESCc1ccccc1NCC(O)COC(C)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-14-8-6-7-11-18(14)19-12-17(20)13-21-15(2)16-9-4-3-5-10-16/h3-11,15,17,19-20H,12-13H2,1-2H3
InChIKeyNORZJAOYZUWEJL-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.55
Rot. Bonds7

About 1-(2-methylanilino)-3-(1-phenylethoxy)propan-2-ol

1-(2-methylanilino)-3-(1-phenylethoxy)propan-2-ol (PubChem CID 60902275) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(2-methylanilino)-3-(1-phenylethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-methylanilino)-3-(1-phenylethoxy)propan-2-ol
PubChem CID60902275
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(2-methylanilino)-3-(1-phenylethoxy)propan-2-ol
SMILESCc1ccccc1NCC(O)COC(C)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-14-8-6-7-11-18(14)19-12-17(20)13-21-15(2)16-9-4-3-5-10-16/h3-11,15,17,19-20H,12-13H2,1-2H3
InChIKeyNORZJAOYZUWEJL-UHFFFAOYSA-N
XLogP3.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-methylanilino)-3-(1-phenylethoxy)propan-2-ol 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

2-methyl-N-[2-(1-phenylethoxy)ethyl]aniline
CID 55088100
1-(1-phenylethoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol
CID 83142673
1-(3-ethylpentan-2-ylamino)-3-(1-phenylethoxy)propan-2-ol
CID 63837243
1-(3-chloroanilino)-3-(1-phenylethoxy)propan-2-ol
CID 60896251
1-(1-phenylethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol
CID 79352877
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-3-methylbutan-1-ol
CID 79250235
(2S)-2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-3-methylbutan-1-ol
CID 79249364
1-[(2-methylcyclopropyl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 55071380
1-(2-cyclopropylpropylamino)-3-(1-phenylethoxy)propan-2-ol
CID 115591839
1-(1-cyclopropylethylamino)-3-(1-phenylethoxy)propan-2-ol
CID 54938755
1-(cyclopentylamino)-3-(1-phenylethoxy)propan-2-ol
CID 60635394
2-methyl-N-(3-methyl-2-phenylbutyl)aniline
CID 107875833

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylanilino)-3-(1-phenylethoxy)propan-2-ol?
The IUPAC name of 1-(2-methylanilino)-3-(1-phenylethoxy)propan-2-ol (CID 60902275) is 1-(2-methylanilino)-3-(1-phenylethoxy)propan-2-ol.
What is the SMILES notation for 1-(2-methylanilino)-3-(1-phenylethoxy)propan-2-ol?
The canonical SMILES for 1-(2-methylanilino)-3-(1-phenylethoxy)propan-2-ol is Cc1ccccc1NCC(O)COC(C)c1ccccc1.
What is the InChIKey of 1-(2-methylanilino)-3-(1-phenylethoxy)propan-2-ol?
The InChIKey is NORZJAOYZUWEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14-8-6-7-11-18(14)19-12-17(20)13-21-15(2)16-9-4-3-5-10-16/h3-11,15,17,19-20H,12-13H2,1-2H3.
What are the key properties of 1-(2-methylanilino)-3-(1-phenylethoxy)propan-2-ol?
1-(2-methylanilino)-3-(1-phenylethoxy)propan-2-ol has a molecular weight of 285.39 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylanilino)-3-(1-phenylethoxy)propan-2-ol is sourced from PubChem (CID 60902275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).