N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine

C21H21FN2O2 — CID 3162182

IUPACN-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine
SMILESCOc1cccc(CNCc2ccncc2)c1OCc1ccc(F)cc1
InChIInChI=1S/C21H21FN2O2/c1-25-20-4-2-3-18(14-24-13-16-9-11-23-12-10-16)21(20)26-15-17-5-7-19(22)8-6-17/h2-12,24H,13-15H2,1H3
InChIKeyQVEHKRPUXDXVMM-UHFFFAOYSA-N
MW352.41 g/mol
LogP4.10
Rot. Bonds8

About N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine

N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine (PubChem CID 3162182) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine
PubChem CID3162182
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC NameN-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine
SMILESCOc1cccc(CNCc2ccncc2)c1OCc1ccc(F)cc1
InChIInChI=1S/C21H21FN2O2/c1-25-20-4-2-3-18(14-24-13-16-9-11-23-12-10-16)21(20)26-15-17-5-7-19(22)8-6-17/h2-12,24H,13-15H2,1H3
InChIKeyQVEHKRPUXDXVMM-UHFFFAOYSA-N
XLogP4.10
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]methanamine;hydrochloride
CID 17292639
N-[[3-methoxy-2-(pyridin-4-ylmethoxy)phenyl]methyl]ethanamine
CID 43427709
N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721448
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine chloride
CID 53350927
1-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 17331655
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-3-ylmethanamine
CID 1017197
N-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 17054761
N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine
CID 17212648
N',N'-diethyl-N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]propane-1,3-diamine
CID 17214994
3-butoxy-N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]propan-1-amine;hydrochloride
CID 17207628
N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride
CID 17291397
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17292771

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine?
The IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine (CID 3162182) is N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine is COc1cccc(CNCc2ccncc2)c1OCc1ccc(F)cc1.
What is the InChIKey of N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine?
The InChIKey is QVEHKRPUXDXVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-25-20-4-2-3-18(14-24-13-16-9-11-23-12-10-16)21(20)26-15-17-5-7-19(22)8-6-17/h2-12,24H,13-15H2,1H3.
What are the key properties of N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine?
N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine has a molecular weight of 352.41 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 3162182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).