N-[[2-(3-bromofuran-2-yl)-4-propylcyclohexyl]methyl]ethanamine

C16H26BrNO — CID 81029161

IUPACN-[[2-(3-bromofuran-2-yl)-4-propylcyclohexyl]methyl]ethanamine
SMILESCCCC1CCC(CNCC)C(c2occc2Br)C1
InChIInChI=1S/C16H26BrNO/c1-3-5-12-6-7-13(11-18-4-2)14(10-12)16-15(17)8-9-19-16/h8-9,12-14,18H,3-7,10-11H2,1-2H3
InChIKeyQKKHJRWUGSQYIE-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.95
Rot. Bonds6

About N-[[2-(3-bromofuran-2-yl)-4-propylcyclohexyl]methyl]ethanamine

N-[[2-(3-bromofuran-2-yl)-4-propylcyclohexyl]methyl]ethanamine (PubChem CID 81029161) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is N-[[2-(3-bromofuran-2-yl)-4-propylcyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-bromofuran-2-yl)-4-propylcyclohexyl]methyl]ethanamine
PubChem CID81029161
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC NameN-[[2-(3-bromofuran-2-yl)-4-propylcyclohexyl]methyl]ethanamine
SMILESCCCC1CCC(CNCC)C(c2occc2Br)C1
InChIInChI=1S/C16H26BrNO/c1-3-5-12-6-7-13(11-18-4-2)14(10-12)16-15(17)8-9-19-16/h8-9,12-14,18H,3-7,10-11H2,1-2H3
InChIKeyQKKHJRWUGSQYIE-UHFFFAOYSA-N
XLogP4.95
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]ethanamine
CID 81032684
N-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]propan-1-amine
CID 81033199
N-[[2-(2,4-dimethylphenyl)-4-propylcyclohexyl]methyl]ethanamine
CID 81033727
N-[[2-(3-bromofuran-2-yl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81032438
N-[[2-(3,4-dichlorophenyl)-4-propylcyclohexyl]methyl]ethanamine
CID 81034507
N-[[2-(3-methylphenyl)-4-propylcyclohexyl]methyl]ethanamine
CID 81029457
N-[[2-(3-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 106889346
N-[[2-(3-bromofuran-2-yl)-4-tert-butylcyclohexyl]methyl]propan-2-amine
CID 81022007
N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 81029610
N-[[2-(3-bromofuran-2-yl)-1-methylazepan-3-yl]methyl]ethanamine
CID 106889430
N-[[2-(3-methoxypyrazin-2-yl)-4-propylcyclohexyl]methyl]ethanamine
CID 104516834
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]ethanamine
CID 81034508

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-bromofuran-2-yl)-4-propylcyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-bromofuran-2-yl)-4-propylcyclohexyl]methyl]ethanamine (CID 81029161) is N-[[2-(3-bromofuran-2-yl)-4-propylcyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-bromofuran-2-yl)-4-propylcyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-bromofuran-2-yl)-4-propylcyclohexyl]methyl]ethanamine is CCCC1CCC(CNCC)C(c2occc2Br)C1.
What is the InChIKey of N-[[2-(3-bromofuran-2-yl)-4-propylcyclohexyl]methyl]ethanamine?
The InChIKey is QKKHJRWUGSQYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-3-5-12-6-7-13(11-18-4-2)14(10-12)16-15(17)8-9-19-16/h8-9,12-14,18H,3-7,10-11H2,1-2H3.
What are the key properties of N-[[2-(3-bromofuran-2-yl)-4-propylcyclohexyl]methyl]ethanamine?
N-[[2-(3-bromofuran-2-yl)-4-propylcyclohexyl]methyl]ethanamine has a molecular weight of 328.29 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-bromofuran-2-yl)-4-propylcyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81029161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).