4-[3-(methoxymethyl)anilino]pentan-1-ol

C13H21NO2 — CID 115975845

IUPAC4-[3-(methoxymethyl)anilino]pentan-1-ol
SMILESCOCc1cccc(NC(C)CCCO)c1
InChIInChI=1S/C13H21NO2/c1-11(5-4-8-15)14-13-7-3-6-12(9-13)10-16-2/h3,6-7,9,11,14-15H,4-5,8,10H2,1-2H3
InChIKeyVLGMDZAXIRBYLL-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.41
Rot. Bonds7

About 4-[3-(methoxymethyl)anilino]pentan-1-ol

4-[3-(methoxymethyl)anilino]pentan-1-ol (PubChem CID 115975845) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)anilino]pentan-1-ol.

Molecular Properties

Compound Name4-[3-(methoxymethyl)anilino]pentan-1-ol
PubChem CID115975845
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-[3-(methoxymethyl)anilino]pentan-1-ol
SMILESCOCc1cccc(NC(C)CCCO)c1
InChIInChI=1S/C13H21NO2/c1-11(5-4-8-15)14-13-7-3-6-12(9-13)10-16-2/h3,6-7,9,11,14-15H,4-5,8,10H2,1-2H3
InChIKeyVLGMDZAXIRBYLL-UHFFFAOYSA-N
XLogP2.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-hexan-2-yl-3-(methoxymethyl)aniline
CID 43778851
3-(methoxymethyl)-N-(1-methoxypropan-2-yl)aniline
CID 62534298
(4R)-4-(3-methylanilino)pentan-1-ol
CID 94830689
4-(3-chloroanilino)pentan-1-ol
CID 115975852
3-(methoxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)aniline
CID 43672004
3-[3-(methoxymethyl)anilino]-2-methylbutanoic acid
CID 79392392
(2S)-1-[3-(methoxymethyl)anilino]propan-2-ol
CID 106931972
3-[3-(methoxymethyl)phenyl]propan-1-ol
CID 117278462
5-amino-N-[3-(methoxymethyl)phenyl]-2-methylpentanamide
CID 113440853
3-(methoxymethyl)-N-methylaniline
CID 23080905
2-[3-(methoxymethyl)anilino]butanoic acid
CID 64668978
3-[3-(4-methoxybutan-2-ylamino)phenyl]propanoic acid
CID 122044452

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)anilino]pentan-1-ol?
The IUPAC name of 4-[3-(methoxymethyl)anilino]pentan-1-ol (CID 115975845) is 4-[3-(methoxymethyl)anilino]pentan-1-ol.
What is the SMILES notation for 4-[3-(methoxymethyl)anilino]pentan-1-ol?
The canonical SMILES for 4-[3-(methoxymethyl)anilino]pentan-1-ol is COCc1cccc(NC(C)CCCO)c1.
What is the InChIKey of 4-[3-(methoxymethyl)anilino]pentan-1-ol?
The InChIKey is VLGMDZAXIRBYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-11(5-4-8-15)14-13-7-3-6-12(9-13)10-16-2/h3,6-7,9,11,14-15H,4-5,8,10H2,1-2H3.
What are the key properties of 4-[3-(methoxymethyl)anilino]pentan-1-ol?
4-[3-(methoxymethyl)anilino]pentan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)anilino]pentan-1-ol is sourced from PubChem (CID 115975845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).