N-[2-(6-bromonaphthalen-2-yl)oxypropyl]butan-1-amine

C17H22BrNO — CID 63506414

IUPACN-[2-(6-bromonaphthalen-2-yl)oxypropyl]butan-1-amine
SMILESCCCCNCC(C)Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H22BrNO/c1-3-4-9-19-12-13(2)20-17-8-6-14-10-16(18)7-5-15(14)11-17/h5-8,10-11,13,19H,3-4,9,12H2,1-2H3
InChIKeyJFNVTJIMNFVUMZ-UHFFFAOYSA-N
MW336.27 g/mol
LogP4.76
Rot. Bonds7

About N-[2-(6-bromonaphthalen-2-yl)oxypropyl]butan-1-amine

N-[2-(6-bromonaphthalen-2-yl)oxypropyl]butan-1-amine (PubChem CID 63506414) has the molecular formula C17H22BrNO and a molecular weight of 336.27 g/mol. Its IUPAC name is N-[2-(6-bromonaphthalen-2-yl)oxypropyl]butan-1-amine.

Molecular Properties

Compound NameN-[2-(6-bromonaphthalen-2-yl)oxypropyl]butan-1-amine
PubChem CID63506414
Molecular FormulaC17H22BrNO
Molecular Weight336.27 g/mol
Exact Mass335.09
IUPAC NameN-[2-(6-bromonaphthalen-2-yl)oxypropyl]butan-1-amine
SMILESCCCCNCC(C)Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H22BrNO/c1-3-4-9-19-12-13(2)20-17-8-6-14-10-16(18)7-5-15(14)11-17/h5-8,10-11,13,19H,3-4,9,12H2,1-2H3
InChIKeyJFNVTJIMNFVUMZ-UHFFFAOYSA-N
XLogP4.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-bromo-3-fluorophenoxy)propyl]butan-1-amine
CID 65201064
2-naphthalen-2-yloxy-N-propylpropan-1-amine
CID 42630142
2-(6-bromonaphthalen-2-yl)oxypropan-1-ol
CID 18367588
N-[2-(4-butan-2-ylphenoxy)propyl]butan-1-amine
CID 107668612
N-[2-[(4-bromophenyl)methoxy]propyl]butan-1-amine
CID 82825259
N-[2-(4-fluorophenoxy)propyl]pentan-1-amine
CID 62570899
N-[2-(4-ethoxyphenoxy)propyl]pentan-1-amine
CID 62572869
3-(6-bromonaphthalen-2-yl)oxy-N-ethyl-2-methylpropan-1-amine
CID 62459947
N-[2-(3-bromophenoxy)propyl]-3-methylbutan-1-amine
CID 62570902
N-[2-(4-tert-butylphenoxy)propyl]pentan-1-amine
CID 63505573
N-[2-(4-chlorophenoxy)propyl]heptan-1-amine
CID 54797550
ethyl (2S)-2-(6-bromonaphthalen-2-yl)oxypropanoate
CID 57054525

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-bromonaphthalen-2-yl)oxypropyl]butan-1-amine?
The IUPAC name of N-[2-(6-bromonaphthalen-2-yl)oxypropyl]butan-1-amine (CID 63506414) is N-[2-(6-bromonaphthalen-2-yl)oxypropyl]butan-1-amine.
What is the SMILES notation for N-[2-(6-bromonaphthalen-2-yl)oxypropyl]butan-1-amine?
The canonical SMILES for N-[2-(6-bromonaphthalen-2-yl)oxypropyl]butan-1-amine is CCCCNCC(C)Oc1ccc2cc(Br)ccc2c1.
What is the InChIKey of N-[2-(6-bromonaphthalen-2-yl)oxypropyl]butan-1-amine?
The InChIKey is JFNVTJIMNFVUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNO/c1-3-4-9-19-12-13(2)20-17-8-6-14-10-16(18)7-5-15(14)11-17/h5-8,10-11,13,19H,3-4,9,12H2,1-2H3.
What are the key properties of N-[2-(6-bromonaphthalen-2-yl)oxypropyl]butan-1-amine?
N-[2-(6-bromonaphthalen-2-yl)oxypropyl]butan-1-amine has a molecular weight of 336.27 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-bromonaphthalen-2-yl)oxypropyl]butan-1-amine is sourced from PubChem (CID 63506414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).