5-[4-(methoxymethyl)anilino]pentan-1-ol

C13H21NO2 — CID 83961071

IUPAC5-[4-(methoxymethyl)anilino]pentan-1-ol
SMILESCOCc1ccc(NCCCCCO)cc1
InChIInChI=1S/C13H21NO2/c1-16-11-12-5-7-13(8-6-12)14-9-3-2-4-10-15/h5-8,14-15H,2-4,9-11H2,1H3
InChIKeyIEKLIRIZMAAHMJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.41
Rot. Bonds8

About 5-[4-(methoxymethyl)anilino]pentan-1-ol

5-[4-(methoxymethyl)anilino]pentan-1-ol (PubChem CID 83961071) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-[4-(methoxymethyl)anilino]pentan-1-ol.

Molecular Properties

Compound Name5-[4-(methoxymethyl)anilino]pentan-1-ol
PubChem CID83961071
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name5-[4-(methoxymethyl)anilino]pentan-1-ol
SMILESCOCc1ccc(NCCCCCO)cc1
InChIInChI=1S/C13H21NO2/c1-16-11-12-5-7-13(8-6-12)14-9-3-2-4-10-15/h5-8,14-15H,2-4,9-11H2,1H3
InChIKeyIEKLIRIZMAAHMJ-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-[4-(2-hydroxyethyl)anilino]pentan-1-ol
CID 83962274
6-(4-propylanilino)hexan-1-ol
CID 103868001
5-(4-butylanilino)pentan-1-ol
CID 62228069
5-(4-bromoanilino)pentan-1-ol
CID 62227139
4-(6-methoxyhexylamino)phenol
CID 162494970
10-anilinodecan-1-ol
CID 10955954
6-(4-ethylsulfonylanilino)hexan-1-ol
CID 103867994
4-hydroxy-N-[4-(methoxymethyl)phenyl]butane-1-sulfonamide
CID 114252948
4-(methoxymethyl)-N-(2-phenylethyl)aniline
CID 83961080
2-[4-(pentadecylamino)phenyl]ethanol
CID 20525862
5-[2-(methoxymethyl)anilino]pentan-1-ol
CID 62229017
4-(6-hydroxyhexylamino)-N-methylbenzenesulfonamide
CID 107848765

Frequently Asked Questions

What is the IUPAC name of 5-[4-(methoxymethyl)anilino]pentan-1-ol?
The IUPAC name of 5-[4-(methoxymethyl)anilino]pentan-1-ol (CID 83961071) is 5-[4-(methoxymethyl)anilino]pentan-1-ol.
What is the SMILES notation for 5-[4-(methoxymethyl)anilino]pentan-1-ol?
The canonical SMILES for 5-[4-(methoxymethyl)anilino]pentan-1-ol is COCc1ccc(NCCCCCO)cc1.
What is the InChIKey of 5-[4-(methoxymethyl)anilino]pentan-1-ol?
The InChIKey is IEKLIRIZMAAHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-16-11-12-5-7-13(8-6-12)14-9-3-2-4-10-15/h5-8,14-15H,2-4,9-11H2,1H3.
What are the key properties of 5-[4-(methoxymethyl)anilino]pentan-1-ol?
5-[4-(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-[4-(methoxymethyl)anilino]pentan-1-ol is sourced from PubChem (CID 83961071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).