1-(5-bromofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine

C13H13BrClNO — CID 107096586

IUPAC1-(5-bromofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)o1)c1cccc(Cl)c1C
InChIInChI=1S/C13H13BrClNO/c1-8-9(4-3-5-10(8)15)13(16-2)11-6-7-12(14)17-11/h3-7,13,16H,1-2H3
InChIKeyKLNASZGPPQTHPV-UHFFFAOYSA-N
MW314.61 g/mol
LogP4.31
Rot. Bonds3

About 1-(5-bromofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine

1-(5-bromofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine (PubChem CID 107096586) has the molecular formula C13H13BrClNO and a molecular weight of 314.61 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine
PubChem CID107096586
Molecular FormulaC13H13BrClNO
Molecular Weight314.61 g/mol
Exact Mass312.99
IUPAC Name1-(5-bromofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)o1)c1cccc(Cl)c1C
InChIInChI=1S/C13H13BrClNO/c1-8-9(4-3-5-10(8)15)13(16-2)11-6-7-12(14)17-11/h3-7,13,16H,1-2H3
InChIKeyKLNASZGPPQTHPV-UHFFFAOYSA-N
XLogP4.31
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.61
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine
CID 81264965
1-(3-chloro-2-methylphenyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine
CID 107096640
1-(1-benzofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine
CID 107103108
1-(3-chloro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 107096375
N-[1-(5-bromofuran-2-yl)ethyl]-3-chloro-2-methylaniline
CID 113437440
N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-chlorophenyl)ethanamine
CID 113437463
1-(3-chloro-2-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine
CID 107096626
(1S)-1-(3-chloro-2-methylphenyl)-N-methylethanamine
CID 96656380
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine
CID 107103095
1-(5-bromofuran-2-yl)-1-(3-chloro-4-fluorophenyl)-N-methylmethanamine
CID 82874924
1-(2-bromophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 63417166
N-[1-(5-bromofuran-2-yl)ethyl]-2,6-dichloroaniline
CID 104653070

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine (CID 107096586) is 1-(5-bromofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine is CNC(c1ccc(Br)o1)c1cccc(Cl)c1C.
What is the InChIKey of 1-(5-bromofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine?
The InChIKey is KLNASZGPPQTHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNO/c1-8-9(4-3-5-10(8)15)13(16-2)11-6-7-12(14)17-11/h3-7,13,16H,1-2H3.
What are the key properties of 1-(5-bromofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine?
1-(5-bromofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine has a molecular weight of 314.61 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 107096586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).