N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine

C20H20ClNO3 — CID 78895208

IUPACN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine
SMILESCOc1cccc(CNCc2ccc(-c3ccccc3Cl)o2)c1OC
InChIInChI=1S/C20H20ClNO3/c1-23-19-9-5-6-14(20(19)24-2)12-22-13-15-10-11-18(25-15)16-7-3-4-8-17(16)21/h3-11,22H,12-13H2,1-2H3
InChIKeyFSNSAOWGULNTHB-UHFFFAOYSA-N
MW357.84 g/mol
LogP4.91
Rot. Bonds7

About N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine

N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine (PubChem CID 78895208) has the molecular formula C20H20ClNO3 and a molecular weight of 357.84 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine
PubChem CID78895208
Molecular FormulaC20H20ClNO3
Molecular Weight357.84 g/mol
Exact Mass357.11
IUPAC NameN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine
SMILESCOc1cccc(CNCc2ccc(-c3ccccc3Cl)o2)c1OC
InChIInChI=1S/C20H20ClNO3/c1-23-19-9-5-6-14(20(19)24-2)12-22-13-15-10-11-18(25-15)16-7-3-4-8-17(16)21/h3-11,22H,12-13H2,1-2H3
InChIKeyFSNSAOWGULNTHB-UHFFFAOYSA-N
XLogP4.91
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17208246
N-[(2-chlorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 17292043
N-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17208318
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17208292
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-(2-chlorophenyl)methanamine
CID 4724269
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 6473076
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207432
1-[5-(2-chlorophenyl)furan-2-yl]-N-methylmethanamine;hydrochloride
CID 6473590
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
CID 769797
1-(2-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride
CID 17332799
1-(2,3-dimethoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 106415154
N-[[5-(2,3-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106887909

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine?
The IUPAC name of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine (CID 78895208) is N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine.
What is the SMILES notation for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine?
The canonical SMILES for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine is COc1cccc(CNCc2ccc(-c3ccccc3Cl)o2)c1OC.
What is the InChIKey of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine?
The InChIKey is FSNSAOWGULNTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO3/c1-23-19-9-5-6-14(20(19)24-2)12-22-13-15-10-11-18(25-15)16-7-3-4-8-17(16)21/h3-11,22H,12-13H2,1-2H3.
What are the key properties of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine?
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine has a molecular weight of 357.84 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine is sourced from PubChem (CID 78895208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).