1-(4-bromonaphthalen-1-yl)-1-(furan-3-yl)-N-methylmethanamine

C16H14BrNO — CID 79597141

IUPAC1-(4-bromonaphthalen-1-yl)-1-(furan-3-yl)-N-methylmethanamine
SMILESCNC(c1ccoc1)c1ccc(Br)c2ccccc12
InChIInChI=1S/C16H14BrNO/c1-18-16(11-8-9-19-10-11)14-6-7-15(17)13-5-3-2-4-12(13)14/h2-10,16,18H,1H3
InChIKeyGMDSRCRGMAFCHE-UHFFFAOYSA-N
MW316.20 g/mol
LogP4.50
Rot. Bonds3

About 1-(4-bromonaphthalen-1-yl)-1-(furan-3-yl)-N-methylmethanamine

1-(4-bromonaphthalen-1-yl)-1-(furan-3-yl)-N-methylmethanamine (PubChem CID 79597141) has the molecular formula C16H14BrNO and a molecular weight of 316.20 g/mol. Its IUPAC name is 1-(4-bromonaphthalen-1-yl)-1-(furan-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromonaphthalen-1-yl)-1-(furan-3-yl)-N-methylmethanamine
PubChem CID79597141
Molecular FormulaC16H14BrNO
Molecular Weight316.20 g/mol
Exact Mass315.03
IUPAC Name1-(4-bromonaphthalen-1-yl)-1-(furan-3-yl)-N-methylmethanamine
SMILESCNC(c1ccoc1)c1ccc(Br)c2ccccc12
InChIInChI=1S/C16H14BrNO/c1-18-16(11-8-9-19-10-11)14-6-7-15(17)13-5-3-2-4-12(13)14/h2-10,16,18H,1H3
InChIKeyGMDSRCRGMAFCHE-UHFFFAOYSA-N
XLogP4.50
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloronaphthalen-1-yl)-1-(furan-3-yl)-N-methylmethanamine
CID 79597508
1-(2-bromofuran-3-yl)-1-(furan-3-yl)-N-methylmethanamine
CID 106857587
1-(3-bromophenyl)-1-(furan-3-yl)-N-methylmethanamine
CID 63948375
1-(5-bromo-2-methoxy-4-methylphenyl)-1-(furan-3-yl)-N-methylmethanamine
CID 65438955
1-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 115855639
1-(4-bromonaphthalen-1-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
CID 103401226
1-(3-chloro-4-pyridinyl)-1-(furan-3-yl)-N-methylmethanamine
CID 105146775
N-[(2-bromofuran-3-yl)-(4-bromonaphthalen-1-yl)methyl]ethanamine
CID 106851857
1-(2,3-dihydrofuran-5-yl)-1-(furan-3-yl)-N-methylmethanamine
CID 102651572
1-(furan-3-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114687790
2-[bromo-(4-bromonaphthalen-1-yl)methyl]-3-methylfuran
CID 79597785
N-[(2-bromo-4-methylphenyl)-(furan-3-yl)methyl]ethanamine
CID 115855493

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromonaphthalen-1-yl)-1-(furan-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromonaphthalen-1-yl)-1-(furan-3-yl)-N-methylmethanamine (CID 79597141) is 1-(4-bromonaphthalen-1-yl)-1-(furan-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromonaphthalen-1-yl)-1-(furan-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromonaphthalen-1-yl)-1-(furan-3-yl)-N-methylmethanamine is CNC(c1ccoc1)c1ccc(Br)c2ccccc12.
What is the InChIKey of 1-(4-bromonaphthalen-1-yl)-1-(furan-3-yl)-N-methylmethanamine?
The InChIKey is GMDSRCRGMAFCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO/c1-18-16(11-8-9-19-10-11)14-6-7-15(17)13-5-3-2-4-12(13)14/h2-10,16,18H,1H3.
What are the key properties of 1-(4-bromonaphthalen-1-yl)-1-(furan-3-yl)-N-methylmethanamine?
1-(4-bromonaphthalen-1-yl)-1-(furan-3-yl)-N-methylmethanamine has a molecular weight of 316.20 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromonaphthalen-1-yl)-1-(furan-3-yl)-N-methylmethanamine is sourced from PubChem (CID 79597141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).