3-(4-aminobutyl)-6-bromonaphthalen-2-ol

C14H16BrNO — CID 117474498

IUPAC3-(4-aminobutyl)-6-bromonaphthalen-2-ol
SMILESNCCCCc1cc2cc(Br)ccc2cc1O
InChIInChI=1S/C14H16BrNO/c15-13-5-4-10-9-14(17)11(3-1-2-6-16)7-12(10)8-13/h4-5,7-9,17H,1-3,6,16H2
InChIKeyNQGGZSXPWPVMEF-UHFFFAOYSA-N
MW294.19 g/mol
LogP3.59
Rot. Bonds4

About 3-(4-aminobutyl)-6-bromonaphthalen-2-ol

3-(4-aminobutyl)-6-bromonaphthalen-2-ol (PubChem CID 117474498) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is 3-(4-aminobutyl)-6-bromonaphthalen-2-ol.

Molecular Properties

Compound Name3-(4-aminobutyl)-6-bromonaphthalen-2-ol
PubChem CID117474498
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name3-(4-aminobutyl)-6-bromonaphthalen-2-ol
SMILESNCCCCc1cc2cc(Br)ccc2cc1O
InChIInChI=1S/C14H16BrNO/c15-13-5-4-10-9-14(17)11(3-1-2-6-16)7-12(10)8-13/h4-5,7-9,17H,1-3,6,16H2
InChIKeyNQGGZSXPWPVMEF-UHFFFAOYSA-N
XLogP3.59
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminopropyl)naphthalen-2-ol
CID 117290164
2-(4-aminobutyl)-4-bromo-5-fluorophenol
CID 117409491
2-(4-aminobutyl)-4,5-difluorophenol
CID 117289972
6-(2,5-dibromophenyl)hexan-1-amine
CID 65301155
5-(2,5-dibromophenyl)pentan-1-amine
CID 65301153
4-(5-bromo-2-methylsulfanylphenyl)butan-1-amine
CID 117437843
2-(3-aminopropyl)-4-bromo-5-fluorophenol
CID 83900240
4-(7-chloro-3-hydroxynaphthalen-2-yl)butanoic acid
CID 117416110
2,6-dibromonaphthalene
CID 640591
2-(3-aminopropyl)-5-bromoaniline
CID 53434170
5-(3-aminopropyl)-1-benzofuran-6-ol
CID 83877743
2-(3-aminopropyl)-4-bromo-5-methoxyphenol
CID 117403912

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminobutyl)-6-bromonaphthalen-2-ol?
The IUPAC name of 3-(4-aminobutyl)-6-bromonaphthalen-2-ol (CID 117474498) is 3-(4-aminobutyl)-6-bromonaphthalen-2-ol.
What is the SMILES notation for 3-(4-aminobutyl)-6-bromonaphthalen-2-ol?
The canonical SMILES for 3-(4-aminobutyl)-6-bromonaphthalen-2-ol is NCCCCc1cc2cc(Br)ccc2cc1O.
What is the InChIKey of 3-(4-aminobutyl)-6-bromonaphthalen-2-ol?
The InChIKey is NQGGZSXPWPVMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c15-13-5-4-10-9-14(17)11(3-1-2-6-16)7-12(10)8-13/h4-5,7-9,17H,1-3,6,16H2.
What are the key properties of 3-(4-aminobutyl)-6-bromonaphthalen-2-ol?
3-(4-aminobutyl)-6-bromonaphthalen-2-ol has a molecular weight of 294.19 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminobutyl)-6-bromonaphthalen-2-ol is sourced from PubChem (CID 117474498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).