1-[3-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine

C13H14ClNO2 — CID 106888684

IUPAC1-[3-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine
SMILESCNCc1occc1-c1ccc(OC)c(Cl)c1
InChIInChI=1S/C13H14ClNO2/c1-15-8-13-10(5-6-17-13)9-3-4-12(16-2)11(14)7-9/h3-7,15H,8H2,1-2H3
InChIKeyFFQKQFLTWQGCCB-UHFFFAOYSA-N
MW251.71 g/mol
LogP3.33
Rot. Bonds4

About 1-[3-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine

1-[3-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine (PubChem CID 106888684) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 1-[3-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine
PubChem CID106888684
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name1-[3-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine
SMILESCNCc1occc1-c1ccc(OC)c(Cl)c1
InChIInChI=1S/C13H14ClNO2/c1-15-8-13-10(5-6-17-13)9-3-4-12(16-2)11(14)7-9/h3-7,15H,8H2,1-2H3
InChIKeyFFQKQFLTWQGCCB-UHFFFAOYSA-N
XLogP3.33
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]propan-2-amine
CID 106888680
1-[4-(3-chloro-4-methoxyphenyl)-3-methylphenyl]-N-methylmethanamine
CID 66481251
1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine
CID 4724470
N-methyl-1-[3-(4-phenoxyphenyl)furan-2-yl]methanamine
CID 106888567
5-chloro-2,4-dimethoxy-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115742755
1-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 84608935
N-[[3-(5-chloro-2-methoxyphenyl)furan-2-yl]methyl]propan-1-amine
CID 106886805
1-[3-[(2-methoxy-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 55077971
1-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 3299476
1-[3-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]-N-methylmethanamine
CID 106888982
1-[5-(2-chloro-5-fluorophenyl)-2-methoxyphenyl]-N-methylmethanamine
CID 105395772
2-chloro-5-(3-chloro-4-methoxyphenyl)aniline
CID 62908744

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine (CID 106888684) is 1-[3-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine is CNCc1occc1-c1ccc(OC)c(Cl)c1.
What is the InChIKey of 1-[3-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine?
The InChIKey is FFQKQFLTWQGCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-15-8-13-10(5-6-17-13)9-3-4-12(16-2)11(14)7-9/h3-7,15H,8H2,1-2H3.
What are the key properties of 1-[3-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine?
1-[3-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine has a molecular weight of 251.71 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 106888684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).