[4-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]methanamine

C17H15BrN2O — CID 63882074

IUPAC[4-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]methanamine
SMILESNCc1cc(COc2ccc3cc(Br)ccc3c2)ccn1
InChIInChI=1S/C17H15BrN2O/c18-15-3-1-14-9-17(4-2-13(14)8-15)21-11-12-5-6-20-16(7-12)10-19/h1-9H,10-11,19H2
InChIKeyGEABLBLFHZHDJE-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.03
Rot. Bonds4

About [4-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]methanamine

[4-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]methanamine (PubChem CID 63882074) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is [4-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]methanamine
PubChem CID63882074
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name[4-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]methanamine
SMILESNCc1cc(COc2ccc3cc(Br)ccc3c2)ccn1
InChIInChI=1S/C17H15BrN2O/c18-15-3-1-14-9-17(4-2-13(14)8-15)21-11-12-5-6-20-16(7-12)10-19/h1-9H,10-11,19H2
InChIKeyGEABLBLFHZHDJE-UHFFFAOYSA-N
XLogP4.03
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-[(3-bromophenyl)methoxy]naphthalene
CID 7786828
2-bromo-6-phenylmethoxynaphthalene
CID 640595
2-[(6-bromonaphthalen-2-yl)oxymethyl]pyrimidine
CID 62698805
2-bromo-6-[(3,5-dimethylphenyl)methoxy]naphthalene
CID 60624731
[4-[(3,5-dimethylphenoxy)methyl]-2-pyridinyl]methanamine
CID 63887885
4-[(6-bromonaphthalen-2-yl)oxymethyl]-1,3-thiazole
CID 54942438
[4-[(2-bromophenoxy)methyl]-2-pyridinyl]methanamine
CID 63887682
[6-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]hydrazine
CID 79232593
3-[5-[(6-bromonaphthalen-2-yl)oxymethyl]furan-2-yl]propan-1-amine
CID 170878748
4-(naphthalen-2-yloxymethyl)pyridine-2-carbothioamide
CID 63883286
[4-[[2-[4-[[4-(aminomethyl)phenoxy]methyl]-2-pyridinyl]-4-pyridinyl]methoxy]phenyl]methanamine
CID 102432953
[4-[(6-bromonaphthalen-2-yl)oxymethyl]-5-methylthiophen-2-yl]methanamine
CID 80723273

Frequently Asked Questions

What is the IUPAC name of [4-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]methanamine?
The IUPAC name of [4-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]methanamine (CID 63882074) is [4-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [4-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]methanamine?
The canonical SMILES for [4-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]methanamine is NCc1cc(COc2ccc3cc(Br)ccc3c2)ccn1.
What is the InChIKey of [4-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]methanamine?
The InChIKey is GEABLBLFHZHDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c18-15-3-1-14-9-17(4-2-13(14)8-15)21-11-12-5-6-20-16(7-12)10-19/h1-9H,10-11,19H2.
What are the key properties of [4-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]methanamine?
[4-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]methanamine has a molecular weight of 343.22 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 63882074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).