1-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-N-methylmethanamine

C12H11ClN2O3 — CID 107812054

IUPAC1-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1
InChIInChI=1S/C12H11ClN2O3/c1-14-7-9-3-5-12(18-9)8-2-4-10(13)11(6-8)15(16)17/h2-6,14H,7H2,1H3
InChIKeyNDLJPVYKHVVGMG-UHFFFAOYSA-N
MW266.68 g/mol
LogP3.23
Rot. Bonds4

About 1-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-N-methylmethanamine

1-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-N-methylmethanamine (PubChem CID 107812054) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 1-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-N-methylmethanamine
PubChem CID107812054
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name1-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1
InChIInChI=1S/C12H11ClN2O3/c1-14-7-9-3-5-12(18-9)8-2-4-10(13)11(6-8)15(16)17/h2-6,14H,7H2,1H3
InChIKeyNDLJPVYKHVVGMG-UHFFFAOYSA-N
XLogP3.23
TPSA68.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 53.23
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

ethyl 2-amino-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]propanoate
CID 170885336
3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-3-oxopropanoic acid
CID 170887197
1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine
CID 4724470
(E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyano-N-methylprop-2-enamide
CID 6001409
2-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]propanedinitrile
CID 800291
N-methyl-1-(5-nitrofuran-2-yl)methanamine
CID 43754874
N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine;hydrochloride
CID 17057138
N-[[5-(4-nitrophenyl)furan-2-yl]methyl]propan-1-amine
CID 4973493
N-[[5-(3-bromo-4-nitrophenyl)furan-2-yl]methyl]propan-1-amine
CID 82864929
4-chloro-N-[(5-methylfuran-2-yl)methyl]-3-nitrobenzenesulfonamide
CID 62524044
1-[5-(3,5-dimethylphenyl)furan-2-yl]-N-methylmethanamine
CID 43624832
N-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide
CID 3426936

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-N-methylmethanamine (CID 107812054) is 1-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-N-methylmethanamine is CNCc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1.
What is the InChIKey of 1-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-N-methylmethanamine?
The InChIKey is NDLJPVYKHVVGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-14-7-9-3-5-12(18-9)8-2-4-10(13)11(6-8)15(16)17/h2-6,14H,7H2,1H3.
What are the key properties of 1-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-N-methylmethanamine?
1-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-N-methylmethanamine has a molecular weight of 266.68 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 107812054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).