(1R)-1-(2-fluorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine

C17H20FNO — CID 81380322

IUPAC(1R)-1-(2-fluorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine
SMILESCOCc1ccc(CN[C@H](C)c2ccccc2F)cc1
InChIInChI=1S/C17H20FNO/c1-13(16-5-3-4-6-17(16)18)19-11-14-7-9-15(10-8-14)12-20-2/h3-10,13,19H,11-12H2,1-2H3/t13-/m1/s1
InChIKeyZPUKOOSBWCKCFF-CYBMUJFWSA-N
MW273.35 g/mol
LogP3.82
Rot. Bonds6

About (1R)-1-(2-fluorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine

(1R)-1-(2-fluorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine (PubChem CID 81380322) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is (1R)-1-(2-fluorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-fluorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine
PubChem CID81380322
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name(1R)-1-(2-fluorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine
SMILESCOCc1ccc(CN[C@H](C)c2ccccc2F)cc1
InChIInChI=1S/C17H20FNO/c1-13(16-5-3-4-6-17(16)18)19-11-14-7-9-15(10-8-14)12-20-2/h3-10,13,19H,11-12H2,1-2H3/t13-/m1/s1
InChIKeyZPUKOOSBWCKCFF-CYBMUJFWSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-(2-methoxyphenyl)ethanamine
CID 81388530
N-[(4-bromophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659010
1-(2-fluorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 60928300
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81379771
1-(2-fluorophenyl)-N-[(4-propoxyphenyl)methyl]ethanamine
CID 60659012
N-[(3-fluoro-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 63646240
1-(2-fluorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63051050
4-[[1-(2-fluorophenyl)ethylamino]methyl]benzene-1,2-diol
CID 60664100
N-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659047
1-(2-fluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 62997398
1-(2,5-difluorophenyl)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine
CID 61004386
(1R)-1-(2-fluorophenyl)-N-(furan-3-ylmethyl)ethanamine
CID 81379853

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-fluorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine?
The IUPAC name of (1R)-1-(2-fluorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine (CID 81380322) is (1R)-1-(2-fluorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for (1R)-1-(2-fluorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine?
The canonical SMILES for (1R)-1-(2-fluorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine is COCc1ccc(CN[C@H](C)c2ccccc2F)cc1.
What is the InChIKey of (1R)-1-(2-fluorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine?
The InChIKey is ZPUKOOSBWCKCFF-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20FNO/c1-13(16-5-3-4-6-17(16)18)19-11-14-7-9-15(10-8-14)12-20-2/h3-10,13,19H,11-12H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-1-(2-fluorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine?
(1R)-1-(2-fluorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine has a molecular weight of 273.35 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-fluorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 81380322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).