1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride

C20H21ClFNO3 — CID 6464080

IUPAC1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
SMILESCOc1cccc(CNCc2ccco2)c1OCc1ccccc1F.Cl
InChIInChI=1S/C20H20FNO3.ClH/c1-23-19-10-4-7-15(12-22-13-17-8-5-11-24-17)20(19)25-14-16-6-2-3-9-18(16)21;/h2-11,22H,12-14H2,1H3;1H
InChIKeyCYCAQWYWXANRPA-UHFFFAOYSA-N
MW377.84 g/mol
LogP4.72
Rot. Bonds8

About 1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride

1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride (PubChem CID 6464080) has the molecular formula C20H21ClFNO3 and a molecular weight of 377.84 g/mol. Its IUPAC name is 1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride.

Molecular Properties

Compound Name1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
PubChem CID6464080
Molecular FormulaC20H21ClFNO3
Molecular Weight377.84 g/mol
Exact Mass377.12
IUPAC Name1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
SMILESCOc1cccc(CNCc2ccco2)c1OCc1ccccc1F.Cl
InChIInChI=1S/C20H20FNO3.ClH/c1-23-19-10-4-7-15(12-22-13-17-8-5-11-24-17)20(19)25-14-16-6-2-3-9-18(16)21;/h2-11,22H,12-14H2,1H3;1H
InChIKeyCYCAQWYWXANRPA-UHFFFAOYSA-N
XLogP4.72
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 17331655
1-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 17331643
1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17208035
N-[[2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(furan-2-yl)methanamine
CID 66534705
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291289
2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol;hydrochloride
CID 2951461
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]prop-2-en-1-amine;hydrochloride
CID 17291700
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]octan-1-amine;hydrochloride
CID 17331211
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721447
N-[(2-fluoro-6-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine
CID 65433242
N',N'-diethyl-N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethane-1,2-diamine
CID 4720389
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 17290269

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride?
The IUPAC name of 1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride (CID 6464080) is 1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride.
What is the SMILES notation for 1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride?
The canonical SMILES for 1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride is COc1cccc(CNCc2ccco2)c1OCc1ccccc1F.Cl.
What is the InChIKey of 1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride?
The InChIKey is CYCAQWYWXANRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO3.ClH/c1-23-19-10-4-7-15(12-22-13-17-8-5-11-24-17)20(19)25-14-16-6-2-3-9-18(16)21;/h2-11,22H,12-14H2,1H3;1H.
What are the key properties of 1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride?
1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride has a molecular weight of 377.84 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride is sourced from PubChem (CID 6464080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).