5-butoxynaphthalen-1-amine

C14H17NO — CID 67167958

IUPAC5-butoxynaphthalen-1-amine
SMILESCCCCOc1cccc2c(N)cccc12
InChIInChI=1S/C14H17NO/c1-2-3-10-16-14-9-5-6-11-12(14)7-4-8-13(11)15/h4-9H,2-3,10,15H2,1H3
InChIKeyVANJFDURHRSAAA-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.60
Rot. Bonds4

About 5-butoxynaphthalen-1-amine

5-butoxynaphthalen-1-amine (PubChem CID 67167958) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 5-butoxynaphthalen-1-amine.

Molecular Properties

Compound Name5-butoxynaphthalen-1-amine
PubChem CID67167958
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name5-butoxynaphthalen-1-amine
SMILESCCCCOc1cccc2c(N)cccc12
InChIInChI=1S/C14H17NO/c1-2-3-10-16-14-9-5-6-11-12(14)7-4-8-13(11)15/h4-9H,2-3,10,15H2,1H3
InChIKeyVANJFDURHRSAAA-UHFFFAOYSA-N
XLogP3.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1,4-dibutoxynaphthalene
CID 22016411
1-butoxynaphthalene
CID 13262700
5-[3-(dimethylamino)butoxy]naphthalen-1-amine
CID 82037878
5-pentoxynaphthalen-1-ol
CID 67823980
1,2,3-tridodecoxybenzene
CID 11308140
1,4-didodecoxynaphthalene
CID 21304164
1,2,3-trihexadecoxybenzene
CID 15518170
1,3-dibutoxy-2-methylbenzene
CID 14475066
2-octoxyaniline
CID 14747235
4-(3-fluoropropoxy)naphthalen-1-amine
CID 81106275
2-butoxy-6-fluoroaniline
CID 60790205
1-decoxyphenanthrene
CID 140993229

Frequently Asked Questions

What is the IUPAC name of 5-butoxynaphthalen-1-amine?
The IUPAC name of 5-butoxynaphthalen-1-amine (CID 67167958) is 5-butoxynaphthalen-1-amine.
What is the SMILES notation for 5-butoxynaphthalen-1-amine?
The canonical SMILES for 5-butoxynaphthalen-1-amine is CCCCOc1cccc2c(N)cccc12.
What is the InChIKey of 5-butoxynaphthalen-1-amine?
The InChIKey is VANJFDURHRSAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-3-10-16-14-9-5-6-11-12(14)7-4-8-13(11)15/h4-9H,2-3,10,15H2,1H3.
What are the key properties of 5-butoxynaphthalen-1-amine?
5-butoxynaphthalen-1-amine has a molecular weight of 215.30 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxynaphthalen-1-amine is sourced from PubChem (CID 67167958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).