(1R)-1-(2,4-difluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine

C22H21F2NO — CID 41061626

IUPAC(1R)-1-(2,4-difluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
SMILESC[C@@H](NCc1cccc(OCc2ccccc2)c1)c1ccc(F)cc1F
InChIInChI=1S/C22H21F2NO/c1-16(21-11-10-19(23)13-22(21)24)25-14-18-8-5-9-20(12-18)26-15-17-6-3-2-4-7-17/h2-13,16,25H,14-15H2,1H3/t16-/m1/s1
InChIKeyUOXSGRGLBXGIEQ-MRXNPFEDSA-N
MW353.41 g/mol
LogP5.39
Rot. Bonds7

About (1R)-1-(2,4-difluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine

(1R)-1-(2,4-difluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine (PubChem CID 41061626) has the molecular formula C22H21F2NO and a molecular weight of 353.41 g/mol. Its IUPAC name is (1R)-1-(2,4-difluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(2,4-difluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
PubChem CID41061626
Molecular FormulaC22H21F2NO
Molecular Weight353.41 g/mol
Exact Mass353.16
IUPAC Name(1R)-1-(2,4-difluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
SMILESC[C@@H](NCc1cccc(OCc2ccccc2)c1)c1ccc(F)cc1F
InChIInChI=1S/C22H21F2NO/c1-16(21-11-10-19(23)13-22(21)24)25-14-18-8-5-9-20(12-18)26-15-17-6-3-2-4-7-17/h2-13,16,25H,14-15H2,1H3/t16-/m1/s1
InChIKeyUOXSGRGLBXGIEQ-MRXNPFEDSA-N
XLogP5.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.41
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39372695
1-(2-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60955260
3-fluoro-4-[1-[(3-methoxyphenyl)methylamino]ethyl]phenol
CID 107714930
(2R)-2-[(3-phenylmethoxyphenyl)methylamino]propanoic acid
CID 95003342
2-[3-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenoxy]acetonitrile
CID 81363735
methyl 3-[[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]methyl]benzoate
CID 124572671
(1R)-N-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 51993062
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine
CID 17211167
2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine
CID 4721452
3-methyl-2-[(3-phenylmethoxyphenyl)methylamino]butanoic acid
CID 66527226
1-(2,5-difluorophenyl)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine
CID 61004386
(2S)-2-[(3-phenylmethoxyphenyl)methylamino]propanamide
CID 10708191

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,4-difluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-(2,4-difluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine (CID 41061626) is (1R)-1-(2,4-difluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(2,4-difluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(2,4-difluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine is C[C@@H](NCc1cccc(OCc2ccccc2)c1)c1ccc(F)cc1F.
What is the InChIKey of (1R)-1-(2,4-difluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine?
The InChIKey is UOXSGRGLBXGIEQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H21F2NO/c1-16(21-11-10-19(23)13-22(21)24)25-14-18-8-5-9-20(12-18)26-15-17-6-3-2-4-7-17/h2-13,16,25H,14-15H2,1H3/t16-/m1/s1.
What are the key properties of (1R)-1-(2,4-difluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine?
(1R)-1-(2,4-difluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine has a molecular weight of 353.41 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,4-difluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 41061626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).