3-ethyl-2-(3-methoxyanilino)pentan-1-ol

C14H23NO2 — CID 61318317

IUPAC3-ethyl-2-(3-methoxyanilino)pentan-1-ol
SMILESCCC(CC)C(CO)Nc1cccc(OC)c1
InChIInChI=1S/C14H23NO2/c1-4-11(5-2)14(10-16)15-12-7-6-8-13(9-12)17-3/h6-9,11,14-16H,4-5,10H2,1-3H3
InChIKeyMLFCWOIFPMLEGV-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.90
Rot. Bonds7

About 3-ethyl-2-(3-methoxyanilino)pentan-1-ol

3-ethyl-2-(3-methoxyanilino)pentan-1-ol (PubChem CID 61318317) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-ethyl-2-(3-methoxyanilino)pentan-1-ol.

Molecular Properties

Compound Name3-ethyl-2-(3-methoxyanilino)pentan-1-ol
PubChem CID61318317
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-ethyl-2-(3-methoxyanilino)pentan-1-ol
SMILESCCC(CC)C(CO)Nc1cccc(OC)c1
InChIInChI=1S/C14H23NO2/c1-4-11(5-2)14(10-16)15-12-7-6-8-13(9-12)17-3/h6-9,11,14-16H,4-5,10H2,1-3H3
InChIKeyMLFCWOIFPMLEGV-UHFFFAOYSA-N
XLogP2.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-2-(3-methoxyanilino)pentan-1-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

3-methoxy-N-[(3S)-2-methylpentan-3-yl]aniline
CID 93283290
2-(3-methoxyanilino)pentan-1-ol
CID 61050273
2-anilino-3-ethylpentan-1-ol
CID 61317721
3-ethyl-2-(3-methoxyanilino)pentanenitrile
CID 61318903
3-methoxy-N-[(2S,3S)-3-methylpentan-2-yl]aniline
CID 28548125
N-hexan-3-yl-3-methoxyaniline
CID 115916725
3-methoxy-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43196395
methyl 2-(3-methoxyanilino)-3-methylpentanoate
CID 61319353
ethyl 2-(3-methoxyanilino)-3-methylbutanoate
CID 61317894
2-(3,4-dichlorophenyl)-2-(3-methoxyanilino)ethanol
CID 61048677
2-(3-methoxyanilino)-2-(oxan-4-yl)ethanol
CID 62392316
2-fluoro-4-[2-hydroxy-1-(3-methoxyanilino)ethyl]phenol
CID 107693461

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(3-methoxyanilino)pentan-1-ol?
The IUPAC name of 3-ethyl-2-(3-methoxyanilino)pentan-1-ol (CID 61318317) is 3-ethyl-2-(3-methoxyanilino)pentan-1-ol.
What is the SMILES notation for 3-ethyl-2-(3-methoxyanilino)pentan-1-ol?
The canonical SMILES for 3-ethyl-2-(3-methoxyanilino)pentan-1-ol is CCC(CC)C(CO)Nc1cccc(OC)c1.
What is the InChIKey of 3-ethyl-2-(3-methoxyanilino)pentan-1-ol?
The InChIKey is MLFCWOIFPMLEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-11(5-2)14(10-16)15-12-7-6-8-13(9-12)17-3/h6-9,11,14-16H,4-5,10H2,1-3H3.
What are the key properties of 3-ethyl-2-(3-methoxyanilino)pentan-1-ol?
3-ethyl-2-(3-methoxyanilino)pentan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(3-methoxyanilino)pentan-1-ol is sourced from PubChem (CID 61318317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).