1-(3-bromofuran-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine

C14H22BrNO — CID 65393949

IUPAC1-(3-bromofuran-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
SMILESCCC1CCC(C(NC)c2occc2Br)CC1
InChIInChI=1S/C14H22BrNO/c1-3-10-4-6-11(7-5-10)13(16-2)14-12(15)8-9-17-14/h8-11,13,16H,3-7H2,1-2H3
InChIKeyZSXRNSQLXGQRNW-UHFFFAOYSA-N
MW300.24 g/mol
LogP4.52
Rot. Bonds4

About 1-(3-bromofuran-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine

1-(3-bromofuran-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine (PubChem CID 65393949) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
PubChem CID65393949
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name1-(3-bromofuran-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
SMILESCCC1CCC(C(NC)c2occc2Br)CC1
InChIInChI=1S/C14H22BrNO/c1-3-10-4-6-11(7-5-10)13(16-2)14-12(15)8-9-17-14/h8-11,13,16H,3-7H2,1-2H3
InChIKeyZSXRNSQLXGQRNW-UHFFFAOYSA-N
XLogP4.52
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine (CID 65393949) is 1-(3-bromofuran-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine is CCC1CCC(C(NC)c2occc2Br)CC1.
What is the InChIKey of 1-(3-bromofuran-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine?
The InChIKey is ZSXRNSQLXGQRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-3-10-4-6-11(7-5-10)13(16-2)14-12(15)8-9-17-14/h8-11,13,16H,3-7H2,1-2H3.
What are the key properties of 1-(3-bromofuran-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine?
1-(3-bromofuran-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine has a molecular weight of 300.24 g/mol, XLogP of 4.52, 4 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)-1-(4-ethylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 65393949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).