[3-[(2-ethylmorpholin-4-yl)methyl]-4-fluorophenyl]methanamine

C14H21FN2O — CID 43562377

IUPAC[3-[(2-ethylmorpholin-4-yl)methyl]-4-fluorophenyl]methanamine
SMILESCCC1CN(Cc2cc(CN)ccc2F)CCO1
InChIInChI=1S/C14H21FN2O/c1-2-13-10-17(5-6-18-13)9-12-7-11(8-16)3-4-14(12)15/h3-4,7,13H,2,5-6,8-10,16H2,1H3
InChIKeyQUFIKZBNVRCJOG-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.90
Rot. Bonds4

About [3-[(2-ethylmorpholin-4-yl)methyl]-4-fluorophenyl]methanamine

[3-[(2-ethylmorpholin-4-yl)methyl]-4-fluorophenyl]methanamine (PubChem CID 43562377) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is [3-[(2-ethylmorpholin-4-yl)methyl]-4-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-[(2-ethylmorpholin-4-yl)methyl]-4-fluorophenyl]methanamine
PubChem CID43562377
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name[3-[(2-ethylmorpholin-4-yl)methyl]-4-fluorophenyl]methanamine
SMILESCCC1CN(Cc2cc(CN)ccc2F)CCO1
InChIInChI=1S/C14H21FN2O/c1-2-13-10-17(5-6-18-13)9-12-7-11(8-16)3-4-14(12)15/h3-4,7,13H,2,5-6,8-10,16H2,1H3
InChIKeyQUFIKZBNVRCJOG-UHFFFAOYSA-N
XLogP1.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-ethylmorpholin-4-yl)methyl]-4-fluorobenzenecarbothioamide
CID 43562689
[3-[(2-ethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine
CID 107113113
4-chloro-2-[(2-ethylmorpholin-4-yl)methyl]aniline
CID 79582785
methyl 2-[4-[[4-(aminomethyl)-2-fluorophenyl]methyl]morpholin-2-yl]acetate
CID 115533910
1-[[5-(aminomethyl)-2-fluorophenyl]methyl]pyrrolidin-3-ol
CID 62943367
[4-[(2-ethylmorpholin-4-yl)methyl]-2-pyridinyl]methanamine
CID 63886681
[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]methanamine
CID 18071220
[5-[(2-ethylmorpholin-4-yl)methyl]-2-methylfuran-3-yl]methanamine
CID 62434083
2-amino-4-[(2-ethylmorpholin-4-yl)methyl]phenol
CID 43562236
2-[(2-ethylmorpholin-4-yl)methyl]-3-fluoroaniline
CID 63330879
[4-[(4-chloro-2-fluorophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844387
[4-[2-(2-ethylmorpholin-4-yl)ethoxy]phenyl]methanamine
CID 43562361

Frequently Asked Questions

What is the IUPAC name of [3-[(2-ethylmorpholin-4-yl)methyl]-4-fluorophenyl]methanamine?
The IUPAC name of [3-[(2-ethylmorpholin-4-yl)methyl]-4-fluorophenyl]methanamine (CID 43562377) is [3-[(2-ethylmorpholin-4-yl)methyl]-4-fluorophenyl]methanamine.
What is the SMILES notation for [3-[(2-ethylmorpholin-4-yl)methyl]-4-fluorophenyl]methanamine?
The canonical SMILES for [3-[(2-ethylmorpholin-4-yl)methyl]-4-fluorophenyl]methanamine is CCC1CN(Cc2cc(CN)ccc2F)CCO1.
What is the InChIKey of [3-[(2-ethylmorpholin-4-yl)methyl]-4-fluorophenyl]methanamine?
The InChIKey is QUFIKZBNVRCJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-2-13-10-17(5-6-18-13)9-12-7-11(8-16)3-4-14(12)15/h3-4,7,13H,2,5-6,8-10,16H2,1H3.
What are the key properties of [3-[(2-ethylmorpholin-4-yl)methyl]-4-fluorophenyl]methanamine?
[3-[(2-ethylmorpholin-4-yl)methyl]-4-fluorophenyl]methanamine has a molecular weight of 252.33 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-ethylmorpholin-4-yl)methyl]-4-fluorophenyl]methanamine is sourced from PubChem (CID 43562377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).