1-(4-bromo-2-chlorophenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]methanamine

C14H15BrClNO — CID 115598217

IUPAC1-(4-bromo-2-chlorophenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]methanamine
SMILESCc1ccc(CN(C)Cc2ccc(Br)cc2Cl)o1
InChIInChI=1S/C14H15BrClNO/c1-10-3-6-13(18-10)9-17(2)8-11-4-5-12(15)7-14(11)16/h3-7H,8-9H2,1-2H3
InChIKeyGDKSDTWVPCKWDC-UHFFFAOYSA-N
MW328.64 g/mol
LogP4.64
Rot. Bonds4

About 1-(4-bromo-2-chlorophenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]methanamine

1-(4-bromo-2-chlorophenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]methanamine (PubChem CID 115598217) has the molecular formula C14H15BrClNO and a molecular weight of 328.64 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]methanamine
PubChem CID115598217
Molecular FormulaC14H15BrClNO
Molecular Weight328.64 g/mol
Exact Mass327.00
IUPAC Name1-(4-bromo-2-chlorophenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]methanamine
SMILESCc1ccc(CN(C)Cc2ccc(Br)cc2Cl)o1
InChIInChI=1S/C14H15BrClNO/c1-10-3-6-13(18-10)9-17(2)8-11-4-5-12(15)7-14(11)16/h3-7H,8-9H2,1-2H3
InChIKeyGDKSDTWVPCKWDC-UHFFFAOYSA-N
XLogP4.64
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.64
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-fluorophenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 60646293
N-[(4-bromo-2-chlorophenyl)methyl]-N-methylpropan-1-amine
CID 115598263
4-bromo-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine
CID 65343166
3-fluoro-4-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]aniline
CID 64768655
2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]aniline
CID 43526030
2-N-[(4-bromo-2-chlorophenyl)methyl]-4-chloro-2-N-methylbenzene-1,2-diamine
CID 107466018
methyl 3-[(4-bromo-2-chlorophenyl)methyl-methylamino]propanoate
CID 115605565
N'-[(4-bromo-2-chlorophenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 113409121
N-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 8558505
2-(3-bromophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 60646267
3-[(4-bromo-2-chlorophenyl)methyl-methylamino]-2-methylpropanethioamide
CID 113470998
N'-[(4-bromo-2-chlorophenyl)methyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 113409176

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]methanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]methanamine (CID 115598217) is 1-(4-bromo-2-chlorophenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]methanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]methanamine is Cc1ccc(CN(C)Cc2ccc(Br)cc2Cl)o1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]methanamine?
The InChIKey is GDKSDTWVPCKWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO/c1-10-3-6-13(18-10)9-17(2)8-11-4-5-12(15)7-14(11)16/h3-7H,8-9H2,1-2H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]methanamine?
1-(4-bromo-2-chlorophenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]methanamine has a molecular weight of 328.64 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]methanamine is sourced from PubChem (CID 115598217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).