1-(2-bromofuran-3-yl)-1-(3-chlorophenyl)-N-methylmethanamine

C12H11BrClNO — CID 106857070

IUPAC1-(2-bromofuran-3-yl)-1-(3-chlorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(Cl)c1)c1ccoc1Br
InChIInChI=1S/C12H11BrClNO/c1-15-11(10-5-6-16-12(10)13)8-3-2-4-9(14)7-8/h2-7,11,15H,1H3
InChIKeySSWUQJSGBBMIEE-UHFFFAOYSA-N
MW300.58 g/mol
LogP4.00
Rot. Bonds3

About 1-(2-bromofuran-3-yl)-1-(3-chlorophenyl)-N-methylmethanamine

1-(2-bromofuran-3-yl)-1-(3-chlorophenyl)-N-methylmethanamine (PubChem CID 106857070) has the molecular formula C12H11BrClNO and a molecular weight of 300.58 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-1-(3-chlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-1-(3-chlorophenyl)-N-methylmethanamine
PubChem CID106857070
Molecular FormulaC12H11BrClNO
Molecular Weight300.58 g/mol
Exact Mass298.97
IUPAC Name1-(2-bromofuran-3-yl)-1-(3-chlorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(Cl)c1)c1ccoc1Br
InChIInChI=1S/C12H11BrClNO/c1-15-11(10-5-6-16-12(10)13)8-3-2-4-9(14)7-8/h2-7,11,15H,1H3
InChIKeySSWUQJSGBBMIEE-UHFFFAOYSA-N
XLogP4.00
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.58
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromofuran-3-yl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine
CID 106857562
1-(3-bromo-2-chlorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 115811933
1-(2-bromofuran-3-yl)-N-methyl-1-(4-phenylphenyl)methanamine
CID 106851546
1-(2-bromo-3-fluorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 115811322
1-(4-chloronaphthalen-1-yl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 79591643
1-(2-bromofuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 107291665
1-(2-bromofuran-3-yl)-1-(furan-3-yl)-N-methylmethanamine
CID 106857587
1-(2-chloro-4-methylphenyl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 106857074
(2R)-1,2-bis(3-chlorophenyl)-N,N'-dimethylethane-1,2-diamine
CID 166838557
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 104541669
1-(3-bromo-2-fluorophenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine
CID 106858995
1-(2-bromofuran-3-yl)-N-methyl-1-(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanamine
CID 106851825

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-1-(3-chlorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromofuran-3-yl)-1-(3-chlorophenyl)-N-methylmethanamine (CID 106857070) is 1-(2-bromofuran-3-yl)-1-(3-chlorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-1-(3-chlorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromofuran-3-yl)-1-(3-chlorophenyl)-N-methylmethanamine is CNC(c1cccc(Cl)c1)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-yl)-1-(3-chlorophenyl)-N-methylmethanamine?
The InChIKey is SSWUQJSGBBMIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNO/c1-15-11(10-5-6-16-12(10)13)8-3-2-4-9(14)7-8/h2-7,11,15H,1H3.
What are the key properties of 1-(2-bromofuran-3-yl)-1-(3-chlorophenyl)-N-methylmethanamine?
1-(2-bromofuran-3-yl)-1-(3-chlorophenyl)-N-methylmethanamine has a molecular weight of 300.58 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromofuran-3-yl)-1-(3-chlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 106857070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).