5-[2-(methoxymethyl)anilino]pentan-1-ol

C13H21NO2 — CID 62229017

IUPAC5-[2-(methoxymethyl)anilino]pentan-1-ol
SMILESCOCc1ccccc1NCCCCCO
InChIInChI=1S/C13H21NO2/c1-16-11-12-7-3-4-8-13(12)14-9-5-2-6-10-15/h3-4,7-8,14-15H,2,5-6,9-11H2,1H3
InChIKeyKIRUPLDETRDOGL-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.41
Rot. Bonds8

About 5-[2-(methoxymethyl)anilino]pentan-1-ol

5-[2-(methoxymethyl)anilino]pentan-1-ol (PubChem CID 62229017) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-[2-(methoxymethyl)anilino]pentan-1-ol.

Molecular Properties

Compound Name5-[2-(methoxymethyl)anilino]pentan-1-ol
PubChem CID62229017
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name5-[2-(methoxymethyl)anilino]pentan-1-ol
SMILESCOCc1ccccc1NCCCCCO
InChIInChI=1S/C13H21NO2/c1-16-11-12-7-3-4-8-13(12)14-9-5-2-6-10-15/h3-4,7-8,14-15H,2,5-6,9-11H2,1H3
InChIKeyKIRUPLDETRDOGL-UHFFFAOYSA-N
XLogP2.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-(5-hydroxypentylamino)anilino]pentan-1-ol
CID 165350008
3-[2-(2-methoxyethyl)anilino]propan-1-ol
CID 102847222
N-(2-fluoroethyl)-2-(methoxymethyl)aniline
CID 80695014
N-(6-hydroxyhexyl)-2-(methoxymethyl)benzamide
CID 103919534
2-(methoxymethyl)-N-(2-propoxyethyl)aniline
CID 106451815
5-(2-fluoroanilino)pentan-1-ol
CID 62227332
5-[4-(methoxymethyl)anilino]pentan-1-ol
CID 83961071
5-[[2-amino-1-[2-(methoxymethyl)phenyl]ethyl]amino]pentan-1-ol
CID 107316874
N-benzyl-2-(methoxymethyl)aniline
CID 43677932
4-(2-propan-2-ylanilino)butan-1-ol
CID 54803429
2-(methoxymethyl)-N-(2-propan-2-ylsulfonylethyl)aniline
CID 106723452
2-[3-(2-hydroxyethylamino)-2-(methoxymethyl)anilino]ethanol
CID 91146715

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methoxymethyl)anilino]pentan-1-ol?
The IUPAC name of 5-[2-(methoxymethyl)anilino]pentan-1-ol (CID 62229017) is 5-[2-(methoxymethyl)anilino]pentan-1-ol.
What is the SMILES notation for 5-[2-(methoxymethyl)anilino]pentan-1-ol?
The canonical SMILES for 5-[2-(methoxymethyl)anilino]pentan-1-ol is COCc1ccccc1NCCCCCO.
What is the InChIKey of 5-[2-(methoxymethyl)anilino]pentan-1-ol?
The InChIKey is KIRUPLDETRDOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-16-11-12-7-3-4-8-13(12)14-9-5-2-6-10-15/h3-4,7-8,14-15H,2,5-6,9-11H2,1H3.
What are the key properties of 5-[2-(methoxymethyl)anilino]pentan-1-ol?
5-[2-(methoxymethyl)anilino]pentan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methoxymethyl)anilino]pentan-1-ol is sourced from PubChem (CID 62229017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).