N-[2-(furan-2-yl)ethyl]-1-(4-methyl-3-nitrophenyl)ethanamine

C15H18N2O3 — CID 43515391

IUPACN-[2-(furan-2-yl)ethyl]-1-(4-methyl-3-nitrophenyl)ethanamine
SMILESCc1ccc(C(C)NCCc2ccco2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H18N2O3/c1-11-5-6-13(10-15(11)17(18)19)12(2)16-8-7-14-4-3-9-20-14/h3-6,9-10,12,16H,7-8H2,1-2H3
InChIKeyPZVJMTMNQYINAC-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.39
Rot. Bonds6

About N-[2-(furan-2-yl)ethyl]-1-(4-methyl-3-nitrophenyl)ethanamine

N-[2-(furan-2-yl)ethyl]-1-(4-methyl-3-nitrophenyl)ethanamine (PubChem CID 43515391) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-1-(4-methyl-3-nitrophenyl)ethanamine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-1-(4-methyl-3-nitrophenyl)ethanamine
PubChem CID43515391
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[2-(furan-2-yl)ethyl]-1-(4-methyl-3-nitrophenyl)ethanamine
SMILESCc1ccc(C(C)NCCc2ccco2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H18N2O3/c1-11-5-6-13(10-15(11)17(18)19)12(2)16-8-7-14-4-3-9-20-14/h3-6,9-10,12,16H,7-8H2,1-2H3
InChIKeyPZVJMTMNQYINAC-UHFFFAOYSA-N
XLogP3.39
TPSA68.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
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

2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetonitrile
CID 84598222
1-(3-fluorophenyl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 43515429
1-(4-methyl-3-nitrophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115732739
2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide
CID 43200358
N-[2-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 43515507
2-[1-(4-methyl-3-nitrophenyl)ethylamino]ethyl carbamate
CID 83209828
1,1-dimethyl-3-[2-[1-(4-methyl-3-nitrophenyl)ethylamino]ethyl]urea
CID 83107937
methyl 2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetate
CID 43200789
N-(furan-2-ylmethyl)-1-(4-methyl-3-nitrophenyl)methanamine
CID 43222583
2,2-dimethyl-3-[1-(4-methyl-3-nitrophenyl)ethylamino]propan-1-ol
CID 115359124
N-[(2-fluorophenyl)methyl]-1-(4-methyl-3-nitrophenyl)ethanamine
CID 43201422
1-(3-fluoro-4-methoxyphenyl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 43515412

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-1-(4-methyl-3-nitrophenyl)ethanamine?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-1-(4-methyl-3-nitrophenyl)ethanamine (CID 43515391) is N-[2-(furan-2-yl)ethyl]-1-(4-methyl-3-nitrophenyl)ethanamine.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-1-(4-methyl-3-nitrophenyl)ethanamine?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-1-(4-methyl-3-nitrophenyl)ethanamine is Cc1ccc(C(C)NCCc2ccco2)cc1[N+](=O)[O-].
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-1-(4-methyl-3-nitrophenyl)ethanamine?
The InChIKey is PZVJMTMNQYINAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-11-5-6-13(10-15(11)17(18)19)12(2)16-8-7-14-4-3-9-20-14/h3-6,9-10,12,16H,7-8H2,1-2H3.
What are the key properties of N-[2-(furan-2-yl)ethyl]-1-(4-methyl-3-nitrophenyl)ethanamine?
N-[2-(furan-2-yl)ethyl]-1-(4-methyl-3-nitrophenyl)ethanamine has a molecular weight of 274.32 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-1-(4-methyl-3-nitrophenyl)ethanamine is sourced from PubChem (CID 43515391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).