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

C17H20BrNO — CID 63943240

IUPAC1-(3-bromofuran-2-yl)-N-methyl-1-(1-phenylcyclopentyl)methanamine
SMILESCNC(c1occc1Br)C1(c2ccccc2)CCCC1
InChIInChI=1S/C17H20BrNO/c1-19-16(15-14(18)9-12-20-15)17(10-5-6-11-17)13-7-3-2-4-8-13/h2-4,7-9,12,16,19H,5-6,10-11H2,1H3
InChIKeyCHPUSMXQADYCRE-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.81
Rot. Bonds4

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

1-(3-bromofuran-2-yl)-N-methyl-1-(1-phenylcyclopentyl)methanamine (PubChem CID 63943240) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-N-methyl-1-(1-phenylcyclopentyl)methanamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-N-methyl-1-(1-phenylcyclopentyl)methanamine
PubChem CID63943240
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name1-(3-bromofuran-2-yl)-N-methyl-1-(1-phenylcyclopentyl)methanamine
SMILESCNC(c1occc1Br)C1(c2ccccc2)CCCC1
InChIInChI=1S/C17H20BrNO/c1-19-16(15-14(18)9-12-20-15)17(10-5-6-11-17)13-7-3-2-4-8-13/h2-4,7-9,12,16,19H,5-6,10-11H2,1H3
InChIKeyCHPUSMXQADYCRE-UHFFFAOYSA-N
XLogP4.81
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.81
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)-N-methyl-1-(1-phenylcyclopentyl)methanamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-N-methyl-1-(1-phenylcyclopentyl)methanamine (CID 63943240) is 1-(3-bromofuran-2-yl)-N-methyl-1-(1-phenylcyclopentyl)methanamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-N-methyl-1-(1-phenylcyclopentyl)methanamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-N-methyl-1-(1-phenylcyclopentyl)methanamine is CNC(c1occc1Br)C1(c2ccccc2)CCCC1.
What is the InChIKey of 1-(3-bromofuran-2-yl)-N-methyl-1-(1-phenylcyclopentyl)methanamine?
The InChIKey is CHPUSMXQADYCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-19-16(15-14(18)9-12-20-15)17(10-5-6-11-17)13-7-3-2-4-8-13/h2-4,7-9,12,16,19H,5-6,10-11H2,1H3.
What are the key properties of 1-(3-bromofuran-2-yl)-N-methyl-1-(1-phenylcyclopentyl)methanamine?
1-(3-bromofuran-2-yl)-N-methyl-1-(1-phenylcyclopentyl)methanamine has a molecular weight of 334.26 g/mol, XLogP of 4.81, 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)-N-methyl-1-(1-phenylcyclopentyl)methanamine is sourced from PubChem (CID 63943240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).