1-(5-bromofuran-2-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine

C17H16BrNO — CID 81432132

IUPAC1-(5-bromofuran-2-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine
SMILESCNC(c1ccc(Br)o1)c1c(C)ccc2ccccc12
InChIInChI=1S/C17H16BrNO/c1-11-7-8-12-5-3-4-6-13(12)16(11)17(19-2)14-9-10-15(18)20-14/h3-10,17,19H,1-2H3
InChIKeyRPYXYVGHGWFGRY-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.81
Rot. Bonds3

About 1-(5-bromofuran-2-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine

1-(5-bromofuran-2-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine (PubChem CID 81432132) has the molecular formula C17H16BrNO and a molecular weight of 330.23 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine
PubChem CID81432132
Molecular FormulaC17H16BrNO
Molecular Weight330.23 g/mol
Exact Mass329.04
IUPAC Name1-(5-bromofuran-2-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine
SMILESCNC(c1ccc(Br)o1)c1c(C)ccc2ccccc12
InChIInChI=1S/C17H16BrNO/c1-11-7-8-12-5-3-4-6-13(12)16(11)17(19-2)14-9-10-15(18)20-14/h3-10,17,19H,1-2H3
InChIKeyRPYXYVGHGWFGRY-UHFFFAOYSA-N
XLogP4.81
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine
CID 81428889
1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine
CID 107961216
N-methyl-1-(2-methylnaphthalen-1-yl)-1-(3-methylthiophen-2-yl)methanamine
CID 81431713
1-(5-iodothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine
CID 81431920
1-(2-bromo-6-fluorophenyl)-1-(5-bromofuran-2-yl)-N-methylmethanamine
CID 114559081
1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine
CID 107961214
N,4-dimethyl-1-(2-methylnaphthalen-1-yl)pentan-1-amine
CID 81432711
(S)-(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanol
CID 99714820
N-[(5-bromofuran-2-yl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 43496337
ethane;2-methyl-1-propan-2-ylnaphthalene
CID 144871891
1-(5-bromofuran-2-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine
CID 115353815
2,2,3,3-tetrafluoro-N-methyl-1-(2-methylnaphthalen-1-yl)propan-1-amine
CID 81432025

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine (CID 81432132) is 1-(5-bromofuran-2-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine is CNC(c1ccc(Br)o1)c1c(C)ccc2ccccc12.
What is the InChIKey of 1-(5-bromofuran-2-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine?
The InChIKey is RPYXYVGHGWFGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO/c1-11-7-8-12-5-3-4-6-13(12)16(11)17(19-2)14-9-10-15(18)20-14/h3-10,17,19H,1-2H3.
What are the key properties of 1-(5-bromofuran-2-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine?
1-(5-bromofuran-2-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine has a molecular weight of 330.23 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine is sourced from PubChem (CID 81432132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).