1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine

C13H14ClNO2 — CID 4724470

IUPAC1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(-c2ccc(OC)c(Cl)c2)o1
InChIInChI=1S/C13H14ClNO2/c1-15-8-10-4-6-12(17-10)9-3-5-13(16-2)11(14)7-9/h3-7,15H,8H2,1-2H3
InChIKeySLLDCDPCZBBPGG-UHFFFAOYSA-N
MW251.71 g/mol
LogP3.33
Rot. Bonds4

About 1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine

1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine (PubChem CID 4724470) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine
PubChem CID4724470
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(-c2ccc(OC)c(Cl)c2)o1
InChIInChI=1S/C13H14ClNO2/c1-15-8-10-4-6-12(17-10)9-3-5-13(16-2)11(14)7-9/h3-7,15H,8H2,1-2H3
InChIKeySLLDCDPCZBBPGG-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-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1,2,4-triazol-4-amine
CID 4727079
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]pentan-1-amine
CID 4724475
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 4724521
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207432
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-phenylethanamine
CID 4725324
2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]butan-1-ol
CID 4724459
2-[3-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]propylamino]ethanol
CID 17214309
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-N',N'-diethylethane-1,2-diamine;dihydrochloride
CID 17333054
[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-propylazanium
CID 7425255
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-phenylbutan-1-amine
CID 17156412
1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]butan-2-amine
CID 170889123
2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride
CID 17333046

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine (CID 4724470) is 1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine is CNCc1ccc(-c2ccc(OC)c(Cl)c2)o1.
What is the InChIKey of 1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine?
The InChIKey is SLLDCDPCZBBPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-15-8-10-4-6-12(17-10)9-3-5-13(16-2)11(14)7-9/h3-7,15H,8H2,1-2H3.
What are the key properties of 1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine?
1-[5-(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-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 4724470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).