1-(5-bromofuran-2-yl)-N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylmethanamine

C14H15BrN2O4 — CID 37420801

IUPAC1-(5-bromofuran-2-yl)-N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylmethanamine
SMILESCOc1ccc([N+](=O)[O-])cc1CN(C)Cc1ccc(Br)o1
InChIInChI=1S/C14H15BrN2O4/c1-16(9-12-4-6-14(15)21-12)8-10-7-11(17(18)19)3-5-13(10)20-2/h3-7H,8-9H2,1-2H3
InChIKeySXPZCFFXCGIAIB-UHFFFAOYSA-N
MW355.19 g/mol
LogP3.59
Rot. Bonds6

About 1-(5-bromofuran-2-yl)-N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylmethanamine

1-(5-bromofuran-2-yl)-N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylmethanamine (PubChem CID 37420801) has the molecular formula C14H15BrN2O4 and a molecular weight of 355.19 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylmethanamine
PubChem CID37420801
Molecular FormulaC14H15BrN2O4
Molecular Weight355.19 g/mol
Exact Mass354.02
IUPAC Name1-(5-bromofuran-2-yl)-N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylmethanamine
SMILESCOc1ccc([N+](=O)[O-])cc1CN(C)Cc1ccc(Br)o1
InChIInChI=1S/C14H15BrN2O4/c1-16(9-12-4-6-14(15)21-12)8-10-7-11(17(18)19)3-5-13(10)20-2/h3-7H,8-9H2,1-2H3
InChIKeySXPZCFFXCGIAIB-UHFFFAOYSA-N
XLogP3.59
TPSA68.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.19
LogP ≤ 53.59
H-Bond Donors ≤ 50
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-(4-chlorophenyl)-N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylmethanamine
CID 26515521
N,N-diethyl-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide
CID 134044889
N-[(2-methoxy-5-nitrophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106613582
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-(6-nitro-4H-1,3-benzodioxin-8-yl)methanamine
CID 26511537
2-bromo-5-(2-methoxy-4-nitrophenyl)furan
CID 134092642
N-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine
CID 60702867
N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913258
methyl 3-(2-methoxy-5-nitrophenyl)-2-oxopropanoate
CID 18370815
N-(5-chloro-2-methoxyphenyl)-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide
CID 27245257
4-bromo-2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]aniline
CID 79524837
3-(2-methoxy-4-nitrophenyl)-N,N-dimethylpropan-1-amine
CID 170865540
3-[(2-methoxy-5-nitrophenyl)methyl]piperidin-2-one
CID 104679100

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylmethanamine (CID 37420801) is 1-(5-bromofuran-2-yl)-N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylmethanamine is COc1ccc([N+](=O)[O-])cc1CN(C)Cc1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylmethanamine?
The InChIKey is SXPZCFFXCGIAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O4/c1-16(9-12-4-6-14(15)21-12)8-10-7-11(17(18)19)3-5-13(10)20-2/h3-7H,8-9H2,1-2H3.
What are the key properties of 1-(5-bromofuran-2-yl)-N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylmethanamine?
1-(5-bromofuran-2-yl)-N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylmethanamine has a molecular weight of 355.19 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylmethanamine is sourced from PubChem (CID 37420801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).