(3S)-4-[2-(4-fluorophenoxy)ethyl]-3-(5-methyl-1H-imidazol-2-yl)morpholine

C16H20FN3O2 — CID 125021783

IUPAC(3S)-4-[2-(4-fluorophenoxy)ethyl]-3-(5-methyl-1H-imidazol-2-yl)morpholine
SMILESCc1cnc([C@H]2COCCN2CCOc2ccc(F)cc2)[nH]1
InChIInChI=1S/C16H20FN3O2/c1-12-10-18-16(19-12)15-11-21-8-6-20(15)7-9-22-14-4-2-13(17)3-5-14/h2-5,10,15H,6-9,11H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyYMHLGXYZXPLUKI-OAHLLOKOSA-N
MW305.35 g/mol
LogP2.31
Rot. Bonds5

About (3S)-4-[2-(4-fluorophenoxy)ethyl]-3-(5-methyl-1H-imidazol-2-yl)morpholine

(3S)-4-[2-(4-fluorophenoxy)ethyl]-3-(5-methyl-1H-imidazol-2-yl)morpholine (PubChem CID 125021783) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is (3S)-4-[2-(4-fluorophenoxy)ethyl]-3-(5-methyl-1H-imidazol-2-yl)morpholine.

Molecular Properties

Compound Name(3S)-4-[2-(4-fluorophenoxy)ethyl]-3-(5-methyl-1H-imidazol-2-yl)morpholine
PubChem CID125021783
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name(3S)-4-[2-(4-fluorophenoxy)ethyl]-3-(5-methyl-1H-imidazol-2-yl)morpholine
SMILESCc1cnc([C@H]2COCCN2CCOc2ccc(F)cc2)[nH]1
InChIInChI=1S/C16H20FN3O2/c1-12-10-18-16(19-12)15-11-21-8-6-20(15)7-9-22-14-4-2-13(17)3-5-14/h2-5,10,15H,6-9,11H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyYMHLGXYZXPLUKI-OAHLLOKOSA-N
XLogP2.31
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-methyl-1H-imidazol-2-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine
CID 110105489
4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]oxan-4-ol
CID 125025974
(3R)-3-(5-methyl-1H-imidazol-2-yl)-4-(naphthalen-1-ylmethyl)morpholine
CID 124963811
2-(3-fluorophenoxy)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 110105469
3-(5-methyl-1H-imidazol-2-yl)-4-(quinolin-4-ylmethyl)morpholine
CID 110105436
4-(1-benzothiophen-2-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)morpholine
CID 110105450
(3,5-difluorophenyl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105429
(5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105506
(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(4-methylphenyl)methyl]morpholine
CID 56776036
(3R)-4-(cyclopropylmethyl)-3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholine
CID 71694155
[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone
CID 125016255
N,N,6-trimethyl-2-[(3R)-4-(2-phenoxyethyl)morpholin-3-yl]pyrimidin-4-amine
CID 124998959

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[2-(4-fluorophenoxy)ethyl]-3-(5-methyl-1H-imidazol-2-yl)morpholine?
The IUPAC name of (3S)-4-[2-(4-fluorophenoxy)ethyl]-3-(5-methyl-1H-imidazol-2-yl)morpholine (CID 125021783) is (3S)-4-[2-(4-fluorophenoxy)ethyl]-3-(5-methyl-1H-imidazol-2-yl)morpholine.
What is the SMILES notation for (3S)-4-[2-(4-fluorophenoxy)ethyl]-3-(5-methyl-1H-imidazol-2-yl)morpholine?
The canonical SMILES for (3S)-4-[2-(4-fluorophenoxy)ethyl]-3-(5-methyl-1H-imidazol-2-yl)morpholine is Cc1cnc([C@H]2COCCN2CCOc2ccc(F)cc2)[nH]1.
What is the InChIKey of (3S)-4-[2-(4-fluorophenoxy)ethyl]-3-(5-methyl-1H-imidazol-2-yl)morpholine?
The InChIKey is YMHLGXYZXPLUKI-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-12-10-18-16(19-12)15-11-21-8-6-20(15)7-9-22-14-4-2-13(17)3-5-14/h2-5,10,15H,6-9,11H2,1H3,(H,18,19)/t15-/m1/s1.
What are the key properties of (3S)-4-[2-(4-fluorophenoxy)ethyl]-3-(5-methyl-1H-imidazol-2-yl)morpholine?
(3S)-4-[2-(4-fluorophenoxy)ethyl]-3-(5-methyl-1H-imidazol-2-yl)morpholine has a molecular weight of 305.35 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[2-(4-fluorophenoxy)ethyl]-3-(5-methyl-1H-imidazol-2-yl)morpholine is sourced from PubChem (CID 125021783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).