1-[5-[(4-nitrophenoxy)methyl]furan-2-yl]propan-2-amine

C14H16N2O4 — CID 170865096

IUPAC1-[5-[(4-nitrophenoxy)methyl]furan-2-yl]propan-2-amine
SMILESCC(N)Cc1ccc(COc2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C14H16N2O4/c1-10(15)8-13-6-7-14(20-13)9-19-12-4-2-11(3-5-12)16(17)18/h2-7,10H,8-9,15H2,1H3
InChIKeyDTPWZEYBLFSVKZ-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.66
Rot. Bonds6

About 1-[5-[(4-nitrophenoxy)methyl]furan-2-yl]propan-2-amine

1-[5-[(4-nitrophenoxy)methyl]furan-2-yl]propan-2-amine (PubChem CID 170865096) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 1-[5-[(4-nitrophenoxy)methyl]furan-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-[(4-nitrophenoxy)methyl]furan-2-yl]propan-2-amine
PubChem CID170865096
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name1-[5-[(4-nitrophenoxy)methyl]furan-2-yl]propan-2-amine
SMILESCC(N)Cc1ccc(COc2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C14H16N2O4/c1-10(15)8-13-6-7-14(20-13)9-19-12-4-2-11(3-5-12)16(17)18/h2-7,10H,8-9,15H2,1H3
InChIKeyDTPWZEYBLFSVKZ-UHFFFAOYSA-N
XLogP2.66
TPSA91.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-[5-(3,5-dinitrophenyl)furan-2-yl]propan-2-amine
CID 63084607
(4-nitrophenyl)methyl 5-(phenoxymethyl)furan-2-carboxylate
CID 7893053
ethyl (2R)-2-[[5-[(4-nitrophenoxy)methyl]furan-2-carbonyl]amino]-3-sulfanylpropanoate
CID 19465420
methyl 2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoate
CID 170883905
2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoic acid
CID 170879752
methyl 3-methyl-5-[(4-nitrophenoxy)methyl]furan-2-carboxylate
CID 38827514
1-[5-(2-chloro-4-nitrophenyl)furan-2-yl]propan-2-amine
CID 63085115
ethyl 2-amino-4-(4-nitrophenoxy)butanoate
CID 63039415
N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448236
4-[(5-nitrofuran-2-yl)methoxy]benzonitrile
CID 43143176
ethyl 2-amino-3-[5-[(4-bromophenoxy)methyl]furan-2-yl]propanoate
CID 170885387
2-[4-[5-[5-[(4-nitrophenoxy)methyl]furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328542

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-nitrophenoxy)methyl]furan-2-yl]propan-2-amine?
The IUPAC name of 1-[5-[(4-nitrophenoxy)methyl]furan-2-yl]propan-2-amine (CID 170865096) is 1-[5-[(4-nitrophenoxy)methyl]furan-2-yl]propan-2-amine.
What is the SMILES notation for 1-[5-[(4-nitrophenoxy)methyl]furan-2-yl]propan-2-amine?
The canonical SMILES for 1-[5-[(4-nitrophenoxy)methyl]furan-2-yl]propan-2-amine is CC(N)Cc1ccc(COc2ccc([N+](=O)[O-])cc2)o1.
What is the InChIKey of 1-[5-[(4-nitrophenoxy)methyl]furan-2-yl]propan-2-amine?
The InChIKey is DTPWZEYBLFSVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-10(15)8-13-6-7-14(20-13)9-19-12-4-2-11(3-5-12)16(17)18/h2-7,10H,8-9,15H2,1H3.
What are the key properties of 1-[5-[(4-nitrophenoxy)methyl]furan-2-yl]propan-2-amine?
1-[5-[(4-nitrophenoxy)methyl]furan-2-yl]propan-2-amine has a molecular weight of 276.29 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-nitrophenoxy)methyl]furan-2-yl]propan-2-amine is sourced from PubChem (CID 170865096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).