N-(4-bromonaphthalen-1-yl)oxan-3-amine

C15H16BrNO — CID 113384461

IUPACN-(4-bromonaphthalen-1-yl)oxan-3-amine
SMILESBrc1ccc(NC2CCCOC2)c2ccccc12
InChIInChI=1S/C15H16BrNO/c16-14-7-8-15(13-6-2-1-5-12(13)14)17-11-4-3-9-18-10-11/h1-2,5-8,11,17H,3-4,9-10H2
InChIKeySZZLWSQBUBASKT-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.19
Rot. Bonds2

About N-(4-bromonaphthalen-1-yl)oxan-3-amine

N-(4-bromonaphthalen-1-yl)oxan-3-amine (PubChem CID 113384461) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is N-(4-bromonaphthalen-1-yl)oxan-3-amine.

Molecular Properties

Compound NameN-(4-bromonaphthalen-1-yl)oxan-3-amine
PubChem CID113384461
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC NameN-(4-bromonaphthalen-1-yl)oxan-3-amine
SMILESBrc1ccc(NC2CCCOC2)c2ccccc12
InChIInChI=1S/C15H16BrNO/c16-14-7-8-15(13-6-2-1-5-12(13)14)17-11-4-3-9-18-10-11/h1-2,5-8,11,17H,3-4,9-10H2
InChIKeySZZLWSQBUBASKT-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzothiophen-3-yl)oxan-3-amine
CID 115976272
N-(2-bromo-3-chlorophenyl)oxan-3-amine
CID 103478147
N-(5-bromo-2,4-difluorophenyl)oxan-3-amine
CID 102852792
N-(4-bromo-2,5-difluorophenyl)oxan-3-amine
CID 107609816
3-bromo-4-(oxan-3-ylamino)benzoic acid
CID 82801534
4-N-(oxan-3-yl)quinoline-4,8-diamine
CID 83060374
2-bromo-3-fluoro-4-(oxan-3-ylamino)benzonitrile
CID 107533681
N-(2,5-dibromophenyl)oxolan-3-amine
CID 63335357
N-[(2-bromophenyl)methyl]oxan-3-amine
CID 63360139
N-(2-bromophenyl)-2-(oxan-3-ylamino)acetamide
CID 55188962
N-(2-bromo-4-fluorophenyl)oxolan-3-amine
CID 63331950
N-(2-bromo-5-fluorophenyl)oxolan-3-amine
CID 107633205

Frequently Asked Questions

What is the IUPAC name of N-(4-bromonaphthalen-1-yl)oxan-3-amine?
The IUPAC name of N-(4-bromonaphthalen-1-yl)oxan-3-amine (CID 113384461) is N-(4-bromonaphthalen-1-yl)oxan-3-amine.
What is the SMILES notation for N-(4-bromonaphthalen-1-yl)oxan-3-amine?
The canonical SMILES for N-(4-bromonaphthalen-1-yl)oxan-3-amine is Brc1ccc(NC2CCCOC2)c2ccccc12.
What is the InChIKey of N-(4-bromonaphthalen-1-yl)oxan-3-amine?
The InChIKey is SZZLWSQBUBASKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c16-14-7-8-15(13-6-2-1-5-12(13)14)17-11-4-3-9-18-10-11/h1-2,5-8,11,17H,3-4,9-10H2.
What are the key properties of N-(4-bromonaphthalen-1-yl)oxan-3-amine?
N-(4-bromonaphthalen-1-yl)oxan-3-amine has a molecular weight of 306.20 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromonaphthalen-1-yl)oxan-3-amine is sourced from PubChem (CID 113384461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).