[4-[(4-fluorophenyl)methyl]morpholin-3-yl]methanamine

C12H17FN2O — CID 18933378

IUPAC[4-[(4-fluorophenyl)methyl]morpholin-3-yl]methanamine
SMILESNCC1COCCN1Cc1ccc(F)cc1
InChIInChI=1S/C12H17FN2O/c13-11-3-1-10(2-4-11)8-15-5-6-16-9-12(15)7-14/h1-4,12H,5-9,14H2
InChIKeyVVWOFFGNIYRUJK-UHFFFAOYSA-N
MW224.28 g/mol
LogP0.99
Rot. Bonds3

About [4-[(4-fluorophenyl)methyl]morpholin-3-yl]methanamine

[4-[(4-fluorophenyl)methyl]morpholin-3-yl]methanamine (PubChem CID 18933378) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is [4-[(4-fluorophenyl)methyl]morpholin-3-yl]methanamine.

Molecular Properties

Compound Name[4-[(4-fluorophenyl)methyl]morpholin-3-yl]methanamine
PubChem CID18933378
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name[4-[(4-fluorophenyl)methyl]morpholin-3-yl]methanamine
SMILESNCC1COCCN1Cc1ccc(F)cc1
InChIInChI=1S/C12H17FN2O/c13-11-3-1-10(2-4-11)8-15-5-6-16-9-12(15)7-14/h1-4,12H,5-9,14H2
InChIKeyVVWOFFGNIYRUJK-UHFFFAOYSA-N
XLogP0.99
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(3-chloro-4-fluorophenyl)methyl]morpholin-3-yl]methanamine
CID 103038281
[4-(2,3-dihydro-1H-inden-5-ylmethyl)morpholin-3-yl]methanamine
CID 83096056
[4-[(2-fluorophenyl)methyl]morpholin-3-yl]methanamine
CID 83095958
[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 14709038
[4-[(3,4-dimethoxyphenyl)methyl]morpholin-3-yl]methanamine
CID 83096554
2-[[4-[(4-fluorophenyl)methyl]morpholin-3-yl]methyl]isoindole-1,3-dione
CID 91430767
[1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916113
(3S)-4-benzyl-3-ethylmorpholine
CID 54501252
4-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethylmorpholine
CID 103998079
[(3R)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]methanol
CID 163376784
N-[[4-[(4-ethylphenyl)methyl]morpholin-3-yl]methyl]ethanamine
CID 83100237
2-(4-benzylmorpholin-3-yl)ethanol
CID 53429129

Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluorophenyl)methyl]morpholin-3-yl]methanamine?
The IUPAC name of [4-[(4-fluorophenyl)methyl]morpholin-3-yl]methanamine (CID 18933378) is [4-[(4-fluorophenyl)methyl]morpholin-3-yl]methanamine.
What is the SMILES notation for [4-[(4-fluorophenyl)methyl]morpholin-3-yl]methanamine?
The canonical SMILES for [4-[(4-fluorophenyl)methyl]morpholin-3-yl]methanamine is NCC1COCCN1Cc1ccc(F)cc1.
What is the InChIKey of [4-[(4-fluorophenyl)methyl]morpholin-3-yl]methanamine?
The InChIKey is VVWOFFGNIYRUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c13-11-3-1-10(2-4-11)8-15-5-6-16-9-12(15)7-14/h1-4,12H,5-9,14H2.
What are the key properties of [4-[(4-fluorophenyl)methyl]morpholin-3-yl]methanamine?
[4-[(4-fluorophenyl)methyl]morpholin-3-yl]methanamine has a molecular weight of 224.28 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluorophenyl)methyl]morpholin-3-yl]methanamine is sourced from PubChem (CID 18933378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).