N-[(5-bromofuran-2-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine

C15H25BrN2O2 — CID 43205308

IUPACN-[(5-bromofuran-2-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine
SMILESCC(C)CC(CNCc1ccc(Br)o1)N1CCOCC1
InChIInChI=1S/C15H25BrN2O2/c1-12(2)9-13(18-5-7-19-8-6-18)10-17-11-14-3-4-15(16)20-14/h3-4,12-13,17H,5-11H2,1-2H3
InChIKeyITROQAIUFDEYMQ-UHFFFAOYSA-N
MW345.28 g/mol
LogP2.88
Rot. Bonds7

About N-[(5-bromofuran-2-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine

N-[(5-bromofuran-2-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine (PubChem CID 43205308) has the molecular formula C15H25BrN2O2 and a molecular weight of 345.28 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine
PubChem CID43205308
Molecular FormulaC15H25BrN2O2
Molecular Weight345.28 g/mol
Exact Mass344.11
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine
SMILESCC(C)CC(CNCc1ccc(Br)o1)N1CCOCC1
InChIInChI=1S/C15H25BrN2O2/c1-12(2)9-13(18-5-7-19-8-6-18)10-17-11-14-3-4-15(16)20-14/h3-4,12-13,17H,5-11H2,1-2H3
InChIKeyITROQAIUFDEYMQ-UHFFFAOYSA-N
XLogP2.88
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromophenyl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine
CID 43102123
4-methyl-2-morpholin-4-yl-N-(pyridin-2-ylmethyl)pentan-1-amine
CID 43205332
N-(2,2-dimethylpropyl)-4-methyl-2-morpholin-4-ylpentan-1-amine
CID 61325953
N-[1-(5-bromothiophen-2-yl)ethyl]-4-methyl-2-morpholin-4-ylpentan-1-amine
CID 61000910
N-[(3-ethylimidazol-4-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine
CID 66135620
4-methyl-N-(4-methylpentan-2-yl)-2-morpholin-4-ylpentan-1-amine
CID 43101058
4-methyl-N-[(5-methyloxolan-2-yl)methyl]-2-morpholin-4-ylpentan-1-amine
CID 82834332
4-methyl-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pentan-1-amine
CID 86808085
2,6-dichloro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide
CID 46540574
3-fluoro-N-[2-[(4-methyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]benzamide
CID 78840417
N-[(4-bromophenyl)methyl]-2-morpholin-4-ylpropan-1-amine
CID 135042570
2,4,4-trimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)cyclopentan-1-amine
CID 106661695

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine (CID 43205308) is N-[(5-bromofuran-2-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine is CC(C)CC(CNCc1ccc(Br)o1)N1CCOCC1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine?
The InChIKey is ITROQAIUFDEYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O2/c1-12(2)9-13(18-5-7-19-8-6-18)10-17-11-14-3-4-15(16)20-14/h3-4,12-13,17H,5-11H2,1-2H3.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine?
N-[(5-bromofuran-2-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine has a molecular weight of 345.28 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine is sourced from PubChem (CID 43205308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).