6-(4-aminonaphthalen-1-yl)oxyhexan-1-ol

C16H21NO2 — CID 107702017

IUPAC6-(4-aminonaphthalen-1-yl)oxyhexan-1-ol
SMILESNc1ccc(OCCCCCCO)c2ccccc12
InChIInChI=1S/C16H21NO2/c17-15-9-10-16(14-8-4-3-7-13(14)15)19-12-6-2-1-5-11-18/h3-4,7-10,18H,1-2,5-6,11-12,17H2
InChIKeyMVBDUXGGFDZNBF-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.35
Rot. Bonds7

About 6-(4-aminonaphthalen-1-yl)oxyhexan-1-ol

6-(4-aminonaphthalen-1-yl)oxyhexan-1-ol (PubChem CID 107702017) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-(4-aminonaphthalen-1-yl)oxyhexan-1-ol.

Molecular Properties

Compound Name6-(4-aminonaphthalen-1-yl)oxyhexan-1-ol
PubChem CID107702017
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name6-(4-aminonaphthalen-1-yl)oxyhexan-1-ol
SMILESNc1ccc(OCCCCCCO)c2ccccc12
InChIInChI=1S/C16H21NO2/c17-15-9-10-16(14-8-4-3-7-13(14)15)19-12-6-2-1-5-11-18/h3-4,7-10,18H,1-2,5-6,11-12,17H2
InChIKeyMVBDUXGGFDZNBF-UHFFFAOYSA-N
XLogP3.35
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(5-aminoquinolin-8-yl)oxyhexan-1-ol
CID 107702002
4-(3-fluoropropoxy)naphthalen-1-amine
CID 81106275
3-(4-methylnaphthalen-1-yl)oxypropan-1-ol
CID 15349996
3-[2,4-diamino-3-(3-hydroxypropoxy)phenoxy]propan-1-ol;hydrochloride
CID 19834651
15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol
CID 139621951
6-[10-(6-hydroxyhexoxy)anthracen-9-yl]oxyhexan-1-ol
CID 153326321
4-(3,3,3-trifluoropropoxy)naphthalen-1-amine
CID 64552253
4-[2,3-bis(4-hydroxybutoxy)phenoxy]butan-1-ol
CID 135239341
3-(4-aminonaphthalen-1-yl)oxy-N,N-dimethylpropanamide
CID 63691333
4-[2-(3-methoxypropoxy)ethoxy]naphthalen-1-amine
CID 103177326
6-(3-amino-2-bromophenoxy)hexan-1-ol
CID 107702028
4-[2-(diethylamino)ethoxy]naphthalen-1-amine
CID 55228090

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminonaphthalen-1-yl)oxyhexan-1-ol?
The IUPAC name of 6-(4-aminonaphthalen-1-yl)oxyhexan-1-ol (CID 107702017) is 6-(4-aminonaphthalen-1-yl)oxyhexan-1-ol.
What is the SMILES notation for 6-(4-aminonaphthalen-1-yl)oxyhexan-1-ol?
The canonical SMILES for 6-(4-aminonaphthalen-1-yl)oxyhexan-1-ol is Nc1ccc(OCCCCCCO)c2ccccc12.
What is the InChIKey of 6-(4-aminonaphthalen-1-yl)oxyhexan-1-ol?
The InChIKey is MVBDUXGGFDZNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c17-15-9-10-16(14-8-4-3-7-13(14)15)19-12-6-2-1-5-11-18/h3-4,7-10,18H,1-2,5-6,11-12,17H2.
What are the key properties of 6-(4-aminonaphthalen-1-yl)oxyhexan-1-ol?
6-(4-aminonaphthalen-1-yl)oxyhexan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminonaphthalen-1-yl)oxyhexan-1-ol is sourced from PubChem (CID 107702017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).