(1R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine

C17H19F2NO — CID 81350630

IUPAC(1R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
SMILESCOc1ccc(C(C)N[C@H](C)c2ccc(F)cc2)cc1F
InChIInChI=1S/C17H19F2NO/c1-11(13-4-7-15(18)8-5-13)20-12(2)14-6-9-17(21-3)16(19)10-14/h4-12,20H,1-3H3/t11-,12?/m1/s1
InChIKeyBATMTZIMQPAPQO-JHJMLUEUSA-N
MW291.34 g/mol
LogP4.39
Rot. Bonds5

About (1R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine

(1R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine (PubChem CID 81350630) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is (1R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
PubChem CID81350630
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name(1R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
SMILESCOc1ccc(C(C)N[C@H](C)c2ccc(F)cc2)cc1F
InChIInChI=1S/C17H19F2NO/c1-11(13-4-7-15(18)8-5-13)20-12(2)14-6-9-17(21-3)16(19)10-14/h4-12,20H,1-3H3/t11-,12?/m1/s1
InChIKeyBATMTZIMQPAPQO-JHJMLUEUSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylethanamine
CID 81350523
(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81350501
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]but-3-en-2-amine
CID 115727846
N-[1-(5-chlorothiophen-3-yl)ethyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 102976328
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pent-4-yn-2-amine
CID 115725240
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylpropan-1-amine
CID 43724000
4-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylaniline
CID 43195979
N-[1-(3-bromothiophen-2-yl)ethyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 43786855
4-bromo-2,6-difluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 65469450
(1S)-N-[1-(3,4-difluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81367859

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
The IUPAC name of (1R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine (CID 81350630) is (1R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for (1R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine is COc1ccc(C(C)N[C@H](C)c2ccc(F)cc2)cc1F.
What is the InChIKey of (1R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
The InChIKey is BATMTZIMQPAPQO-JHJMLUEUSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-11(13-4-7-15(18)8-5-13)20-12(2)14-6-9-17(21-3)16(19)10-14/h4-12,20H,1-3H3/t11-,12?/m1/s1.
What are the key properties of (1R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
(1R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine has a molecular weight of 291.34 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 81350630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).