N-[(5-bromo-3-pyridinyl)methyl]-4-(furan-2-yl)butan-2-amine

C14H17BrN2O — CID 104796828

IUPACN-[(5-bromo-3-pyridinyl)methyl]-4-(furan-2-yl)butan-2-amine
SMILESCC(CCc1ccco1)NCc1cncc(Br)c1
InChIInChI=1S/C14H17BrN2O/c1-11(4-5-14-3-2-6-18-14)17-9-12-7-13(15)10-16-8-12/h2-3,6-8,10-11,17H,4-5,9H2,1H3
InChIKeyMTHXBYVXJXKUKN-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.55
Rot. Bonds6

About N-[(5-bromo-3-pyridinyl)methyl]-4-(furan-2-yl)butan-2-amine

N-[(5-bromo-3-pyridinyl)methyl]-4-(furan-2-yl)butan-2-amine (PubChem CID 104796828) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is N-[(5-bromo-3-pyridinyl)methyl]-4-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-3-pyridinyl)methyl]-4-(furan-2-yl)butan-2-amine
PubChem CID104796828
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC NameN-[(5-bromo-3-pyridinyl)methyl]-4-(furan-2-yl)butan-2-amine
SMILESCC(CCc1ccco1)NCc1cncc(Br)c1
InChIInChI=1S/C14H17BrN2O/c1-11(4-5-14-3-2-6-18-14)17-9-12-7-13(15)10-16-8-12/h2-3,6-8,10-11,17H,4-5,9H2,1H3
InChIKeyMTHXBYVXJXKUKN-UHFFFAOYSA-N
XLogP3.55
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-3-pyridinyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 113454136
N-[(5-bromothiophen-3-yl)methyl]-4-(furan-2-yl)butan-2-amine
CID 43431981
N-[(5-bromo-3-pyridinyl)methyl]-5-methylhexan-2-amine
CID 104796938
N-[(4-bromo-3-fluorophenyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 81002706
N-[[3-(difluoromethyl)phenyl]methyl]-4-(furan-2-yl)butan-2-amine
CID 115526047
3-N-[(5-bromo-3-pyridinyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 104796826
4-(furan-2-yl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 43182405
N-[(3-fluoro-4-methylphenyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 55245951
4-(furan-2-yl)-N-(quinolin-6-ylmethyl)butan-2-amine
CID 60659039
4-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 43769805
2-[4-[[4-(furan-2-yl)butan-2-ylamino]methyl]phenyl]acetic acid
CID 103246843
4-[[4-(furan-2-yl)butan-2-ylamino]methyl]-1-methylpyrrole-2-carbonitrile
CID 103202626

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-4-(furan-2-yl)butan-2-amine?
The IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-4-(furan-2-yl)butan-2-amine (CID 104796828) is N-[(5-bromo-3-pyridinyl)methyl]-4-(furan-2-yl)butan-2-amine.
What is the SMILES notation for N-[(5-bromo-3-pyridinyl)methyl]-4-(furan-2-yl)butan-2-amine?
The canonical SMILES for N-[(5-bromo-3-pyridinyl)methyl]-4-(furan-2-yl)butan-2-amine is CC(CCc1ccco1)NCc1cncc(Br)c1.
What is the InChIKey of N-[(5-bromo-3-pyridinyl)methyl]-4-(furan-2-yl)butan-2-amine?
The InChIKey is MTHXBYVXJXKUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-11(4-5-14-3-2-6-18-14)17-9-12-7-13(15)10-16-8-12/h2-3,6-8,10-11,17H,4-5,9H2,1H3.
What are the key properties of N-[(5-bromo-3-pyridinyl)methyl]-4-(furan-2-yl)butan-2-amine?
N-[(5-bromo-3-pyridinyl)methyl]-4-(furan-2-yl)butan-2-amine has a molecular weight of 309.21 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-pyridinyl)methyl]-4-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 104796828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).