(1R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-fluorophenyl)ethanamine

C19H22F2N2O — CID 95177713

IUPAC(1R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
SMILESC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1
InChIInChI=1S/C19H22F2N2O/c1-14(16-3-5-17(20)6-4-16)22-13-15-2-7-19(18(21)12-15)23-8-10-24-11-9-23/h2-7,12,14,22H,8-11,13H2,1H3/t14-/m1/s1
InChIKeyYWDFFAHRFVCJRY-CQSZACIVSA-N
MW332.39 g/mol
LogP3.65
Rot. Bonds5

About (1R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-fluorophenyl)ethanamine

(1R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-fluorophenyl)ethanamine (PubChem CID 95177713) has the molecular formula C19H22F2N2O and a molecular weight of 332.39 g/mol. Its IUPAC name is (1R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
PubChem CID95177713
Molecular FormulaC19H22F2N2O
Molecular Weight332.39 g/mol
Exact Mass332.17
IUPAC Name(1R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
SMILESC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1
InChIInChI=1S/C19H22F2N2O/c1-14(16-3-5-17(20)6-4-16)22-13-15-2-7-19(18(21)12-15)23-8-10-24-11-9-23/h2-7,12,14,22H,8-11,13H2,1H3/t14-/m1/s1
InChIKeyYWDFFAHRFVCJRY-CQSZACIVSA-N
XLogP3.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-[[(1R)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]amino]ethanol
CID 29038908
1-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine
CID 111232301
N-ethyl-1-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]ethanamine
CID 62974667
4-(2-fluoro-4-propan-2-ylphenyl)morpholine
CID 59216821
(1S)-1-(4-fluorophenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine
CID 81351126
N-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
CID 43280276
1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 164664251
(1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81350945
2-fluoro-4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenol
CID 96934858
N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 75420777
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylethanone
CID 81348384
3-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-amine
CID 117384370

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-fluorophenyl)ethanamine?
The IUPAC name of (1R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-fluorophenyl)ethanamine (CID 95177713) is (1R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for (1R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-fluorophenyl)ethanamine is C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1.
What is the InChIKey of (1R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-fluorophenyl)ethanamine?
The InChIKey is YWDFFAHRFVCJRY-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22F2N2O/c1-14(16-3-5-17(20)6-4-16)22-13-15-2-7-19(18(21)12-15)23-8-10-24-11-9-23/h2-7,12,14,22H,8-11,13H2,1H3/t14-/m1/s1.
What are the key properties of (1R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-fluorophenyl)ethanamine?
(1R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-fluorophenyl)ethanamine has a molecular weight of 332.39 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 95177713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).