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

C12H19NO2 — CID 61050273

IUPAC2-(3-methoxyanilino)pentan-1-ol
SMILESCCCC(CO)Nc1cccc(OC)c1
InChIInChI=1S/C12H19NO2/c1-3-5-11(9-14)13-10-6-4-7-12(8-10)15-2/h4,6-8,11,13-14H,3,5,9H2,1-2H3
InChIKeyTUHXBLLXDSVPMT-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.27
Rot. Bonds6

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

2-(3-methoxyanilino)pentan-1-ol (PubChem CID 61050273) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(3-methoxyanilino)pentan-1-ol.

Molecular Properties

Compound Name2-(3-methoxyanilino)pentan-1-ol
PubChem CID61050273
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-(3-methoxyanilino)pentan-1-ol
SMILESCCCC(CO)Nc1cccc(OC)c1
InChIInChI=1S/C12H19NO2/c1-3-5-11(9-14)13-10-6-4-7-12(8-10)15-2/h4,6-8,11,13-14H,3,5,9H2,1-2H3
InChIKeyTUHXBLLXDSVPMT-UHFFFAOYSA-N
XLogP2.27
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-hexan-3-yl-3-methoxyaniline
CID 115916725
3-ethyl-2-(3-methoxyanilino)pentan-1-ol
CID 61318317
3-(difluoromethoxy)-N-heptan-4-ylaniline
CID 43698946
3-methoxy-N-[(2S,3S)-3-methylpentan-2-yl]aniline
CID 28548125
2-(3-methoxyanilino)-2-(oxan-4-yl)ethanol
CID 62392316
3-methoxy-N-[(3S)-2-methylpentan-3-yl]aniline
CID 93283290
1-[2-(2-hydroxyethyl)pentyl]-3-(3-methoxyphenyl)urea
CID 103709895
N-hydroxy-2-(3-methoxyanilino)hexanamide
CID 87720866
ethyl 2-(3-methoxyanilino)-3-methylbutanoate
CID 61317894
2-(3,4-dichlorophenyl)-2-(3-methoxyanilino)ethanol
CID 61048677
3-methoxy-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43196395
2-[(3-methoxyphenoxy)methyl]pentan-1-ol
CID 117241933

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)pentan-1-ol?
The IUPAC name of 2-(3-methoxyanilino)pentan-1-ol (CID 61050273) is 2-(3-methoxyanilino)pentan-1-ol.
What is the SMILES notation for 2-(3-methoxyanilino)pentan-1-ol?
The canonical SMILES for 2-(3-methoxyanilino)pentan-1-ol is CCCC(CO)Nc1cccc(OC)c1.
What is the InChIKey of 2-(3-methoxyanilino)pentan-1-ol?
The InChIKey is TUHXBLLXDSVPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-5-11(9-14)13-10-6-4-7-12(8-10)15-2/h4,6-8,11,13-14H,3,5,9H2,1-2H3.
What are the key properties of 2-(3-methoxyanilino)pentan-1-ol?
2-(3-methoxyanilino)pentan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)pentan-1-ol is sourced from PubChem (CID 61050273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).