(4-bromonaphthalen-1-yl)-(1,4-dioxan-2-yl)methanamine

C15H16BrNO2 — CID 79597276

IUPAC(4-bromonaphthalen-1-yl)-(1,4-dioxan-2-yl)methanamine
SMILESNC(c1ccc(Br)c2ccccc12)C1COCCO1
InChIInChI=1S/C15H16BrNO2/c16-13-6-5-12(10-3-1-2-4-11(10)13)15(17)14-9-18-7-8-19-14/h1-6,14-15H,7-9,17H2
InChIKeyYXBATOOVXZGDRC-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.02
Rot. Bonds2

About (4-bromonaphthalen-1-yl)-(1,4-dioxan-2-yl)methanamine

(4-bromonaphthalen-1-yl)-(1,4-dioxan-2-yl)methanamine (PubChem CID 79597276) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is (4-bromonaphthalen-1-yl)-(1,4-dioxan-2-yl)methanamine.

Molecular Properties

Compound Name(4-bromonaphthalen-1-yl)-(1,4-dioxan-2-yl)methanamine
PubChem CID79597276
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name(4-bromonaphthalen-1-yl)-(1,4-dioxan-2-yl)methanamine
SMILESNC(c1ccc(Br)c2ccccc12)C1COCCO1
InChIInChI=1S/C15H16BrNO2/c16-13-6-5-12(10-3-1-2-4-11(10)13)15(17)14-9-18-7-8-19-14/h1-6,14-15H,7-9,17H2
InChIKeyYXBATOOVXZGDRC-UHFFFAOYSA-N
XLogP3.02
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dioxan-2-yl-(4-methoxynaphthalen-1-yl)methanamine
CID 62798863
1,2-dihydroacenaphthylen-5-yl(1,4-dioxan-2-yl)methanamine
CID 114939165
(4-bromonaphthalen-1-yl)-(oxan-4-yl)methanamine
CID 79597275
1,4-dioxan-2-yl(isoquinolin-5-yl)methanamine
CID 65352259
1,4-dioxan-2-yl-(2-ethoxyphenyl)methanamine
CID 65352569
1,4-dioxan-2-yl-(3-fluorophenyl)methanamine
CID 65351089
1-(4-bromonaphthalen-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 79597072
[1,4-dioxan-2-yl(naphthalen-1-yl)methyl]hydrazine
CID 105301200
(2-chloro-4,5-dimethylphenyl)-(1,4-dioxan-2-yl)methanamine
CID 113319410
1-(4-bromonaphthalen-1-yl)-3-(oxan-2-yl)propan-1-amine
CID 79589897
(4-methoxynaphthalen-1-yl)-(oxolan-2-yl)methanamine
CID 43150779
2-(3-bromo-2,6-difluorophenyl)-1-(1,4-dioxan-2-yl)ethanamine
CID 114167013

Frequently Asked Questions

What is the IUPAC name of (4-bromonaphthalen-1-yl)-(1,4-dioxan-2-yl)methanamine?
The IUPAC name of (4-bromonaphthalen-1-yl)-(1,4-dioxan-2-yl)methanamine (CID 79597276) is (4-bromonaphthalen-1-yl)-(1,4-dioxan-2-yl)methanamine.
What is the SMILES notation for (4-bromonaphthalen-1-yl)-(1,4-dioxan-2-yl)methanamine?
The canonical SMILES for (4-bromonaphthalen-1-yl)-(1,4-dioxan-2-yl)methanamine is NC(c1ccc(Br)c2ccccc12)C1COCCO1.
What is the InChIKey of (4-bromonaphthalen-1-yl)-(1,4-dioxan-2-yl)methanamine?
The InChIKey is YXBATOOVXZGDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c16-13-6-5-12(10-3-1-2-4-11(10)13)15(17)14-9-18-7-8-19-14/h1-6,14-15H,7-9,17H2.
What are the key properties of (4-bromonaphthalen-1-yl)-(1,4-dioxan-2-yl)methanamine?
(4-bromonaphthalen-1-yl)-(1,4-dioxan-2-yl)methanamine has a molecular weight of 322.20 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromonaphthalen-1-yl)-(1,4-dioxan-2-yl)methanamine is sourced from PubChem (CID 79597276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).