N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(4-methoxyphenyl)methanamine

C19H18FNO2 — CID 4724191

IUPACN-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2ccc(-c3ccccc3F)o2)cc1
InChIInChI=1S/C19H18FNO2/c1-22-15-8-6-14(7-9-15)12-21-13-16-10-11-19(23-16)17-4-2-3-5-18(17)20/h2-11,21H,12-13H2,1H3
InChIKeyDMZQCSDRFRXEIS-UHFFFAOYSA-N
MW311.36 g/mol
LogP4.38
Rot. Bonds6

About N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(4-methoxyphenyl)methanamine

N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(4-methoxyphenyl)methanamine (PubChem CID 4724191) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(4-methoxyphenyl)methanamine
PubChem CID4724191
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC NameN-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2ccc(-c3ccccc3F)o2)cc1
InChIInChI=1S/C19H18FNO2/c1-22-15-8-6-14(7-9-15)12-21-13-16-10-11-19(23-16)17-4-2-3-5-18(17)20/h2-11,21H,12-13H2,1H3
InChIKeyDMZQCSDRFRXEIS-UHFFFAOYSA-N
XLogP4.38
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(4-methoxyphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethoxyphenyl)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethanamine
CID 4723460
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 17333127
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-methoxypropan-1-amine
CID 17206989
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 4723490
N-[(5-ethylfuran-2-yl)methyl]-1-(4-methoxyphenyl)methanamine
CID 62347378
2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]ethanol;hydrochloride
CID 6464178
N',N'-diethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethane-1,2-diamine;dihydrochloride
CID 17331952
2-(4-methoxyphenyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine;hydrochloride
CID 17331908
methyl 4-[5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-yl]benzoate;hydrochloride
CID 17332933
5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-carbonitrile
CID 113242815
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
2-[3-[[5-(2-fluorophenyl)furan-2-yl]methylamino]propylamino]ethanol;dihydrochloride
CID 17214280

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(4-methoxyphenyl)methanamine?
The IUPAC name of N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(4-methoxyphenyl)methanamine (CID 4724191) is N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(4-methoxyphenyl)methanamine.
What is the SMILES notation for N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(4-methoxyphenyl)methanamine?
The canonical SMILES for N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(4-methoxyphenyl)methanamine is COc1ccc(CNCc2ccc(-c3ccccc3F)o2)cc1.
What is the InChIKey of N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(4-methoxyphenyl)methanamine?
The InChIKey is DMZQCSDRFRXEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2/c1-22-15-8-6-14(7-9-15)12-21-13-16-10-11-19(23-16)17-4-2-3-5-18(17)20/h2-11,21H,12-13H2,1H3.
What are the key properties of N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(4-methoxyphenyl)methanamine?
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(4-methoxyphenyl)methanamine has a molecular weight of 311.36 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 4724191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).