N-methyl-N-[[5-(2-nitrophenyl)furan-2-yl]methyl]butan-1-amine

C16H20N2O3 — CID 30980271

IUPACN-methyl-N-[[5-(2-nitrophenyl)furan-2-yl]methyl]butan-1-amine
SMILESCCCCN(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C16H20N2O3/c1-3-4-11-17(2)12-13-9-10-16(21-13)14-7-5-6-8-15(14)18(19)20/h5-10H,3-4,11-12H2,1-2H3
InChIKeyDAHDLUUMQWRSON-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.09
Rot. Bonds7

About N-methyl-N-[[5-(2-nitrophenyl)furan-2-yl]methyl]butan-1-amine

N-methyl-N-[[5-(2-nitrophenyl)furan-2-yl]methyl]butan-1-amine (PubChem CID 30980271) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-methyl-N-[[5-(2-nitrophenyl)furan-2-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[[5-(2-nitrophenyl)furan-2-yl]methyl]butan-1-amine
PubChem CID30980271
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-methyl-N-[[5-(2-nitrophenyl)furan-2-yl]methyl]butan-1-amine
SMILESCCCCN(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C16H20N2O3/c1-3-4-11-17(2)12-13-9-10-16(21-13)14-7-5-6-8-15(14)18(19)20/h5-10H,3-4,11-12H2,1-2H3
InChIKeyDAHDLUUMQWRSON-UHFFFAOYSA-N
XLogP4.09
TPSA59.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,1-dimethyl-N-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidin-4-amine
CID 782059
[5-(2-nitrophenyl)furan-2-yl]methanamine
CID 82114007
3-[5-(2-nitrophenyl)furan-2-yl]propan-1-amine
CID 170878491
2-amino-3-[5-(2-nitrophenyl)furan-2-yl]propanoic acid
CID 170879545
N-methyl-N-[[6-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]butan-1-amine
CID 143409702
1-[5-(2-nitrophenyl)furan-2-yl]ethanone
CID 2755858
5-[[5-(2-nitrophenyl)furan-2-yl]methylamino]pentanenitrile
CID 119115331
4,4-dimethyl-5-[[5-(2-nitrophenyl)furan-2-yl]methylamino]pentan-2-ol
CID 111468026
5-methyl-1-[[5-(2-nitrophenyl)furan-2-yl]methyl]pyridine-2,4-dione
CID 118944478
6-[[5-(2-nitrophenyl)furan-2-yl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910659
6-methyl-1-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidine-3-carboxylic acid
CID 122124427
ethyl 1-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidine-4-carboxylate
CID 2845409

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-(2-nitrophenyl)furan-2-yl]methyl]butan-1-amine?
The IUPAC name of N-methyl-N-[[5-(2-nitrophenyl)furan-2-yl]methyl]butan-1-amine (CID 30980271) is N-methyl-N-[[5-(2-nitrophenyl)furan-2-yl]methyl]butan-1-amine.
What is the SMILES notation for N-methyl-N-[[5-(2-nitrophenyl)furan-2-yl]methyl]butan-1-amine?
The canonical SMILES for N-methyl-N-[[5-(2-nitrophenyl)furan-2-yl]methyl]butan-1-amine is CCCCN(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1.
What is the InChIKey of N-methyl-N-[[5-(2-nitrophenyl)furan-2-yl]methyl]butan-1-amine?
The InChIKey is DAHDLUUMQWRSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-4-11-17(2)12-13-9-10-16(21-13)14-7-5-6-8-15(14)18(19)20/h5-10H,3-4,11-12H2,1-2H3.
What are the key properties of N-methyl-N-[[5-(2-nitrophenyl)furan-2-yl]methyl]butan-1-amine?
N-methyl-N-[[5-(2-nitrophenyl)furan-2-yl]methyl]butan-1-amine has a molecular weight of 288.35 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-(2-nitrophenyl)furan-2-yl]methyl]butan-1-amine is sourced from PubChem (CID 30980271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).