N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylmethanamine

C12H18BrNO — CID 43215825

IUPACN-[(5-bromofuran-2-yl)methyl]-1-cyclohexylmethanamine
SMILESBrc1ccc(CNCC2CCCCC2)o1
InChIInChI=1S/C12H18BrNO/c13-12-7-6-11(15-12)9-14-8-10-4-2-1-3-5-10/h6-7,10,14H,1-5,8-9H2
InChIKeyJAWXIXRAZIMAOJ-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.71
Rot. Bonds4

About N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylmethanamine

N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylmethanamine (PubChem CID 43215825) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylmethanamine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-1-cyclohexylmethanamine
PubChem CID43215825
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-1-cyclohexylmethanamine
SMILESBrc1ccc(CNCC2CCCCC2)o1
InChIInChI=1S/C12H18BrNO/c13-12-7-6-11(15-12)9-14-8-10-4-2-1-3-5-10/h6-7,10,14H,1-5,8-9H2
InChIKeyJAWXIXRAZIMAOJ-UHFFFAOYSA-N
XLogP3.71
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromofuran-2-yl)methyl]-2-cyclopentylethanamine
CID 60732893
5-[(cyclooctylmethylamino)methyl]furan-2-carbonitrile
CID 119138452
N-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-cyclohexylmethanamine
CID 53273361
N-[(5-bromofuran-2-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 60856141
N-[(4-bromophenyl)methyl]-1-cyclopentylmethanamine
CID 43317301
3-[(5-bromofuran-2-yl)methyl]cyclohexan-1-ol
CID 130835243
N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylpropan-1-amine
CID 63476288
methyl 5-[(cyclobutylmethylamino)methyl]furan-2-carboxylate
CID 43775265
1-[[(5-bromofuran-2-yl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65116857
2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide
CID 78870121
2-[(5-bromofuran-2-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 115745353
N-[(5-bromofuran-2-yl)methyl]-2-chloroprop-2-en-1-amine
CID 115745349

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylmethanamine?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylmethanamine (CID 43215825) is N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylmethanamine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylmethanamine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylmethanamine is Brc1ccc(CNCC2CCCCC2)o1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylmethanamine?
The InChIKey is JAWXIXRAZIMAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c13-12-7-6-11(15-12)9-14-8-10-4-2-1-3-5-10/h6-7,10,14H,1-5,8-9H2.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylmethanamine?
N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylmethanamine has a molecular weight of 272.19 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylmethanamine is sourced from PubChem (CID 43215825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).