1-(3-bromofuran-2-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine

C13H20BrNO — CID 106830126

IUPAC1-(3-bromofuran-2-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine
SMILESCNC(c1occc1Br)C1(C)CCCCC1
InChIInChI=1S/C13H20BrNO/c1-13(7-4-3-5-8-13)12(15-2)11-10(14)6-9-16-11/h6,9,12,15H,3-5,7-8H2,1-2H3
InChIKeySNYJUMSINFVAIZ-UHFFFAOYSA-N
MW286.21 g/mol
LogP4.27
Rot. Bonds3

About 1-(3-bromofuran-2-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine

1-(3-bromofuran-2-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine (PubChem CID 106830126) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine
PubChem CID106830126
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name1-(3-bromofuran-2-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine
SMILESCNC(c1occc1Br)C1(C)CCCCC1
InChIInChI=1S/C13H20BrNO/c1-13(7-4-3-5-8-13)12(15-2)11-10(14)6-9-16-11/h6,9,12,15H,3-5,7-8H2,1-2H3
InChIKeySNYJUMSINFVAIZ-UHFFFAOYSA-N
XLogP4.27
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromofuran-2-yl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070216
1-(3-bromofuran-2-yl)-N-methyl-1-(1-phenylcyclopentyl)methanamine
CID 63943240
(3-bromofuran-2-yl)-(1-methylcyclopentyl)methanamine
CID 115861247
1-[(3-bromofuran-2-yl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065998
1-(3-bromo-2-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106830781
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106827094
1-[(3-bromofuran-2-yl)-hydroxymethyl]cyclohexan-1-ol
CID 103451748
1-[(3-bromofuran-2-yl)-hydroxymethyl]cycloheptan-1-ol
CID 103452084
1-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066055
1-(3-bromofuran-2-yl)-1-cyclobutyl-N-methylmethanamine
CID 64987211
N-methyl-1-(1-methylcyclohexyl)-1-(2-methylphenyl)methanamine
CID 106829818
1-(3-bromofuran-2-yl)-N-[(2-methyloxolan-2-yl)methyl]ethanamine
CID 115727604

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine (CID 106830126) is 1-(3-bromofuran-2-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine is CNC(c1occc1Br)C1(C)CCCCC1.
What is the InChIKey of 1-(3-bromofuran-2-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine?
The InChIKey is SNYJUMSINFVAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-13(7-4-3-5-8-13)12(15-2)11-10(14)6-9-16-11/h6,9,12,15H,3-5,7-8H2,1-2H3.
What are the key properties of 1-(3-bromofuran-2-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine?
1-(3-bromofuran-2-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine has a molecular weight of 286.21 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine is sourced from PubChem (CID 106830126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).