N-[(3,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-1-pyridin-3-ylmethanamine

C20H18F2N2O — CID 75514113

IUPACN-[(3,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-1-pyridin-3-ylmethanamine
SMILESCOc1cccc(C(NCc2cc(F)cc(F)c2)c2cccnc2)c1
InChIInChI=1S/C20H18F2N2O/c1-25-19-6-2-4-15(10-19)20(16-5-3-7-23-13-16)24-12-14-8-17(21)11-18(22)9-14/h2-11,13,20,24H,12H2,1H3
InChIKeyKLHNYAHXMQAMJR-UHFFFAOYSA-N
MW340.37 g/mol
LogP4.25
Rot. Bonds6

About N-[(3,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-1-pyridin-3-ylmethanamine

N-[(3,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-1-pyridin-3-ylmethanamine (PubChem CID 75514113) has the molecular formula C20H18F2N2O and a molecular weight of 340.37 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-1-pyridin-3-ylmethanamine
PubChem CID75514113
Molecular FormulaC20H18F2N2O
Molecular Weight340.37 g/mol
Exact Mass340.14
IUPAC NameN-[(3,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-1-pyridin-3-ylmethanamine
SMILESCOc1cccc(C(NCc2cc(F)cc(F)c2)c2cccnc2)c1
InChIInChI=1S/C20H18F2N2O/c1-25-19-6-2-4-15(10-19)20(16-5-3-7-23-13-16)24-12-14-8-17(21)11-18(22)9-14/h2-11,13,20,24H,12H2,1H3
InChIKeyKLHNYAHXMQAMJR-UHFFFAOYSA-N
XLogP4.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxyphenyl)methyl]-1-phosphanyl-1-pyridin-3-ylmethanamine
CID 176995140
(1R)-N-[(3-bromo-5-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81373751
1-(5-fluoro-3-pyridinyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 54967829
2-(3,5-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 61496504
[(5-fluoro-3-pyridinyl)-(3-methoxyphenyl)methyl]hydrazine
CID 105191767
N-[2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 43191768
2-(3-methoxyphenyl)-1-pyridin-3-ylethanamine
CID 22299530
1-phenyl-N-[(4-propan-2-ylphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 75493904
1-(3-methoxyphenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563312
1-(3-methoxyphenyl)-N-[(3-pyrazin-2-ylphenyl)methyl]ethanamine
CID 22391578
1,1-bis(3-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 75378276
N-[[4-(difluoromethoxy)-3-pyridin-3-ylphenyl]methyl]-1-(3-methoxyphenyl)ethanamine
CID 22391576

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-1-pyridin-3-ylmethanamine (CID 75514113) is N-[(3,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-1-pyridin-3-ylmethanamine is COc1cccc(C(NCc2cc(F)cc(F)c2)c2cccnc2)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-1-pyridin-3-ylmethanamine?
The InChIKey is KLHNYAHXMQAMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O/c1-25-19-6-2-4-15(10-19)20(16-5-3-7-23-13-16)24-12-14-8-17(21)11-18(22)9-14/h2-11,13,20,24H,12H2,1H3.
What are the key properties of N-[(3,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-1-pyridin-3-ylmethanamine?
N-[(3,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-1-pyridin-3-ylmethanamine has a molecular weight of 340.37 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 75514113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).