N-[(2-fluoro-4-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine

C16H17F2NO — CID 43561465

IUPACN-[(2-fluoro-4-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1F)c1ccc(OC)cc1F
InChIInChI=1S/C16H17F2NO/c1-3-19-16(12-6-4-5-7-14(12)17)13-9-8-11(20-2)10-15(13)18/h4-10,16,19H,3H2,1-2H3
InChIKeyKAJHAJLVLQUNOU-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.67
Rot. Bonds5

About N-[(2-fluoro-4-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine

N-[(2-fluoro-4-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine (PubChem CID 43561465) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is N-[(2-fluoro-4-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluoro-4-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
PubChem CID43561465
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC NameN-[(2-fluoro-4-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1F)c1ccc(OC)cc1F
InChIInChI=1S/C16H17F2NO/c1-3-19-16(12-6-4-5-7-14(12)17)13-9-8-11(20-2)10-15(13)18/h4-10,16,19H,3H2,1-2H3
InChIKeyKAJHAJLVLQUNOU-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluoro-4-methoxyphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 81480508
N-[(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 103395517
N-[(2,5-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 43561449
N-[(4-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 115828081
N-[(2-fluoro-4-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 115793050
N-[(4-chloro-2-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 63081777
N-[(3-chloro-4-fluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 82873200
N-[(5-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 43487880
N-ethyl-3-(2-fluoro-4-methoxyphenyl)butan-2-amine
CID 103396650
N-[(3-bromo-2-pyridinyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 103395826
N-[(2-fluoro-5-methylphenyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine
CID 62514109
N-[(2-fluoro-4-methoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103131244

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(2-fluoro-4-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine (CID 43561465) is N-[(2-fluoro-4-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-fluoro-4-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-fluoro-4-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine is CCNC(c1ccccc1F)c1ccc(OC)cc1F.
What is the InChIKey of N-[(2-fluoro-4-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine?
The InChIKey is KAJHAJLVLQUNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-3-19-16(12-6-4-5-7-14(12)17)13-9-8-11(20-2)10-15(13)18/h4-10,16,19H,3H2,1-2H3.
What are the key properties of N-[(2-fluoro-4-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine?
N-[(2-fluoro-4-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine has a molecular weight of 277.31 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 43561465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).