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

C14H22BrNO — CID 63476288

IUPACN-[(5-bromofuran-2-yl)methyl]-1-cyclohexylpropan-1-amine
SMILESCCC(NCc1ccc(Br)o1)C1CCCCC1
InChIInChI=1S/C14H22BrNO/c1-2-13(11-6-4-3-5-7-11)16-10-12-8-9-14(15)17-12/h8-9,11,13,16H,2-7,10H2,1H3
InChIKeyWOYKEWLSKPLQAN-UHFFFAOYSA-N
MW300.24 g/mol
LogP4.49
Rot. Bonds5

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

N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylpropan-1-amine (PubChem CID 63476288) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-1-cyclohexylpropan-1-amine
PubChem CID63476288
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-1-cyclohexylpropan-1-amine
SMILESCCC(NCc1ccc(Br)o1)C1CCCCC1
InChIInChI=1S/C14H22BrNO/c1-2-13(11-6-4-3-5-7-11)16-10-12-8-9-14(15)17-12/h8-9,11,13,16H,2-7,10H2,1H3
InChIKeyWOYKEWLSKPLQAN-UHFFFAOYSA-N
XLogP4.49
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propan-1-amine
CID 63476465
N-[(4-bromophenyl)methyl]-1-cyclohexylpropan-1-amine
CID 63478195
N-[(5-bromofuran-2-yl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine
CID 43740577
1-cyclohexyl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine
CID 103437768
N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylmethanamine
CID 43215825
1-cyclohexyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 78921262
N-[(5-bromofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208465
methyl 5-[(1-cyclohexylpropylamino)methyl]-2-methylfuran-3-carboxylate
CID 62406987
2-[(5-bromofuran-2-yl)methylamino]-2-cyclopropylacetic acid
CID 62696800
1-cyclohexyl-N-(1,2-oxazol-4-ylmethyl)propan-1-amine
CID 62405925
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
N-[(5-bromofuran-2-yl)methyl]pentan-2-amine
CID 43177748

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylpropan-1-amine?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylpropan-1-amine (CID 63476288) is N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylpropan-1-amine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylpropan-1-amine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylpropan-1-amine is CCC(NCc1ccc(Br)o1)C1CCCCC1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylpropan-1-amine?
The InChIKey is WOYKEWLSKPLQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-2-13(11-6-4-3-5-7-11)16-10-12-8-9-14(15)17-12/h8-9,11,13,16H,2-7,10H2,1H3.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylpropan-1-amine?
N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylpropan-1-amine has a molecular weight of 300.24 g/mol, XLogP of 4.49, 5 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-cyclohexylpropan-1-amine is sourced from PubChem (CID 63476288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).