N-[(5-quinoxalin-6-ylfuran-2-yl)methyl]propan-2-amine

C16H17N3O — CID 60961490

IUPACN-[(5-quinoxalin-6-ylfuran-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-c2ccc3nccnc3c2)o1
InChIInChI=1S/C16H17N3O/c1-11(2)19-10-13-4-6-16(20-13)12-3-5-14-15(9-12)18-8-7-17-14/h3-9,11,19H,10H2,1-2H3
InChIKeySZKGPPQOHWZKNA-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.39
Rot. Bonds4

About N-[(5-quinoxalin-6-ylfuran-2-yl)methyl]propan-2-amine

N-[(5-quinoxalin-6-ylfuran-2-yl)methyl]propan-2-amine (PubChem CID 60961490) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[(5-quinoxalin-6-ylfuran-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-quinoxalin-6-ylfuran-2-yl)methyl]propan-2-amine
PubChem CID60961490
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-[(5-quinoxalin-6-ylfuran-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-c2ccc3nccnc3c2)o1
InChIInChI=1S/C16H17N3O/c1-11(2)19-10-13-4-6-16(20-13)12-3-5-14-15(9-12)18-8-7-17-14/h3-9,11,19H,10H2,1-2H3
InChIKeySZKGPPQOHWZKNA-UHFFFAOYSA-N
XLogP3.39
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(5-quinoxalin-6-ylfuran-2-yl)propan-2-amine
CID 63086160
N-methyl-1-(5-quinoxalin-6-ylfuran-2-yl)propan-2-amine
CID 63086159
N-[(5-pyrazin-2-ylfuran-2-yl)methyl]propan-2-amine
CID 106887323
N-[(5-pyridin-3-ylfuran-2-yl)methyl]propan-2-amine
CID 103625236
N-[[5-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 106888608
N-(quinoxalin-6-ylmethyl)propan-2-amine
CID 62848682
N-[[5-(4-bromo-3-fluorophenyl)furan-2-yl]methyl]propan-2-amine
CID 65435627
1-[4-[5-[(propan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride
CID 17156433
N-[[5-(4-bromo-3,5-dimethylphenyl)furan-2-yl]methyl]propan-2-amine
CID 107577096
N-[[5-(4-methoxy-3-methylphenyl)furan-2-yl]methyl]propan-2-amine
CID 106888703
N-[[5-(4-bromo-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine
CID 107622707
N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 107289724

Frequently Asked Questions

What is the IUPAC name of N-[(5-quinoxalin-6-ylfuran-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(5-quinoxalin-6-ylfuran-2-yl)methyl]propan-2-amine (CID 60961490) is N-[(5-quinoxalin-6-ylfuran-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-quinoxalin-6-ylfuran-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-quinoxalin-6-ylfuran-2-yl)methyl]propan-2-amine is CC(C)NCc1ccc(-c2ccc3nccnc3c2)o1.
What is the InChIKey of N-[(5-quinoxalin-6-ylfuran-2-yl)methyl]propan-2-amine?
The InChIKey is SZKGPPQOHWZKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11(2)19-10-13-4-6-16(20-13)12-3-5-14-15(9-12)18-8-7-17-14/h3-9,11,19H,10H2,1-2H3.
What are the key properties of N-[(5-quinoxalin-6-ylfuran-2-yl)methyl]propan-2-amine?
N-[(5-quinoxalin-6-ylfuran-2-yl)methyl]propan-2-amine has a molecular weight of 267.33 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-quinoxalin-6-ylfuran-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 60961490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).