(4-bromonaphthalen-1-yl)-(oxan-4-yl)methanamine

C16H18BrNO — CID 79597275

IUPAC(4-bromonaphthalen-1-yl)-(oxan-4-yl)methanamine
SMILESNC(c1ccc(Br)c2ccccc12)C1CCOCC1
InChIInChI=1S/C16H18BrNO/c17-15-6-5-14(12-3-1-2-4-13(12)15)16(18)11-7-9-19-10-8-11/h1-6,11,16H,7-10,18H2
InChIKeyHLPUEMCTCVYYPV-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.03
Rot. Bonds2

About (4-bromonaphthalen-1-yl)-(oxan-4-yl)methanamine

(4-bromonaphthalen-1-yl)-(oxan-4-yl)methanamine (PubChem CID 79597275) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is (4-bromonaphthalen-1-yl)-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name(4-bromonaphthalen-1-yl)-(oxan-4-yl)methanamine
PubChem CID79597275
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name(4-bromonaphthalen-1-yl)-(oxan-4-yl)methanamine
SMILESNC(c1ccc(Br)c2ccccc12)C1CCOCC1
InChIInChI=1S/C16H18BrNO/c17-15-6-5-14(12-3-1-2-4-13(12)15)16(18)11-7-9-19-10-8-11/h1-6,11,16H,7-10,18H2
InChIKeyHLPUEMCTCVYYPV-UHFFFAOYSA-N
XLogP4.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-naphthalen-1-yl(oxan-4-yl)methanamine;hydrochloride
CID 171243613
(4-bromonaphthalen-1-yl)-(1,4-dioxan-2-yl)methanamine
CID 79597276
(S)-(2-bromo-4-chlorophenyl)-(oxan-4-yl)methanamine
CID 131257336
1-(4-bromonaphthalen-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 79597072
(R)-(2-bromo-5-chlorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171247641
2-[(R)-amino(oxan-4-yl)methyl]-6-bromophenol;hydrochloride
CID 171247310
(2-fluorophenyl)-(oxan-4-yl)methanamine
CID 63934888
(S)-(2-methylphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171242964
(2-tert-butylphenyl)-(oxan-4-yl)methanamine
CID 115856077
2-[(R)-amino(oxan-4-yl)methyl]-3,6-dibromophenol;hydrochloride
CID 171256660
(S)-(2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 131274584
(S)-(4-bromo-2-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171239339

Frequently Asked Questions

What is the IUPAC name of (4-bromonaphthalen-1-yl)-(oxan-4-yl)methanamine?
The IUPAC name of (4-bromonaphthalen-1-yl)-(oxan-4-yl)methanamine (CID 79597275) is (4-bromonaphthalen-1-yl)-(oxan-4-yl)methanamine.
What is the SMILES notation for (4-bromonaphthalen-1-yl)-(oxan-4-yl)methanamine?
The canonical SMILES for (4-bromonaphthalen-1-yl)-(oxan-4-yl)methanamine is NC(c1ccc(Br)c2ccccc12)C1CCOCC1.
What is the InChIKey of (4-bromonaphthalen-1-yl)-(oxan-4-yl)methanamine?
The InChIKey is HLPUEMCTCVYYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c17-15-6-5-14(12-3-1-2-4-13(12)15)16(18)11-7-9-19-10-8-11/h1-6,11,16H,7-10,18H2.
What are the key properties of (4-bromonaphthalen-1-yl)-(oxan-4-yl)methanamine?
(4-bromonaphthalen-1-yl)-(oxan-4-yl)methanamine has a molecular weight of 320.23 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromonaphthalen-1-yl)-(oxan-4-yl)methanamine is sourced from PubChem (CID 79597275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).