1-[3-[(3-bromophenyl)methoxymethyl]furan-2-yl]-N-methylmethanamine

C14H16BrNO2 — CID 82832319

IUPAC1-[3-[(3-bromophenyl)methoxymethyl]furan-2-yl]-N-methylmethanamine
SMILESCNCc1occc1COCc1cccc(Br)c1
InChIInChI=1S/C14H16BrNO2/c1-16-8-14-12(5-6-18-14)10-17-9-11-3-2-4-13(15)7-11/h2-7,16H,8-10H2,1H3
InChIKeyLCZREIKJXMMYFR-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.48
Rot. Bonds6

About 1-[3-[(3-bromophenyl)methoxymethyl]furan-2-yl]-N-methylmethanamine

1-[3-[(3-bromophenyl)methoxymethyl]furan-2-yl]-N-methylmethanamine (PubChem CID 82832319) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is 1-[3-[(3-bromophenyl)methoxymethyl]furan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(3-bromophenyl)methoxymethyl]furan-2-yl]-N-methylmethanamine
PubChem CID82832319
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC Name1-[3-[(3-bromophenyl)methoxymethyl]furan-2-yl]-N-methylmethanamine
SMILESCNCc1occc1COCc1cccc(Br)c1
InChIInChI=1S/C14H16BrNO2/c1-16-8-14-12(5-6-18-14)10-17-9-11-3-2-4-13(15)7-11/h2-7,16H,8-10H2,1H3
InChIKeyLCZREIKJXMMYFR-UHFFFAOYSA-N
XLogP3.48
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(3-chlorophenyl)methoxymethyl]furan-2-yl]-N-methylmethanamine
CID 65125404
N-[[3-[(3-chlorophenyl)methoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 65125402
1-[3-(3-bromophenyl)furan-2-yl]-N-methylmethanamine
CID 106887821
2-methyl-N-[[3-(phenylmethoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62444839
N-[[3-[(3-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]cyclopropanamine
CID 62440737
N-[[3-[(3-bromophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 82808184
[3-[(3-bromophenyl)methoxymethyl]phenyl]methanamine
CID 82827520
N,N,2-trimethyl-1-[[2-(methylaminomethyl)furan-3-yl]methoxy]propan-2-amine
CID 79680056
N-methyl-1-[3-(4-methylpentoxymethyl)furan-2-yl]methanamine
CID 62456984
N-methyl-1-[3-(propan-2-yloxymethyl)furan-2-yl]methanamine
CID 62457855
1-[4-[(3-bromophenyl)methoxy]phenyl]-N-methylmethanamine
CID 60880082
N-[[4-[(3-bromophenyl)methoxymethyl]phenyl]methyl]propan-2-amine
CID 82807557

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-bromophenyl)methoxymethyl]furan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(3-bromophenyl)methoxymethyl]furan-2-yl]-N-methylmethanamine (CID 82832319) is 1-[3-[(3-bromophenyl)methoxymethyl]furan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(3-bromophenyl)methoxymethyl]furan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(3-bromophenyl)methoxymethyl]furan-2-yl]-N-methylmethanamine is CNCc1occc1COCc1cccc(Br)c1.
What is the InChIKey of 1-[3-[(3-bromophenyl)methoxymethyl]furan-2-yl]-N-methylmethanamine?
The InChIKey is LCZREIKJXMMYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c1-16-8-14-12(5-6-18-14)10-17-9-11-3-2-4-13(15)7-11/h2-7,16H,8-10H2,1H3.
What are the key properties of 1-[3-[(3-bromophenyl)methoxymethyl]furan-2-yl]-N-methylmethanamine?
1-[3-[(3-bromophenyl)methoxymethyl]furan-2-yl]-N-methylmethanamine has a molecular weight of 310.19 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-bromophenyl)methoxymethyl]furan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 82832319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).