1-[4-[(3-fluoro-4-methylphenyl)methyl]morpholin-2-yl]ethanamine

C14H21FN2O — CID 113284985

IUPAC1-[4-[(3-fluoro-4-methylphenyl)methyl]morpholin-2-yl]ethanamine
SMILESCc1ccc(CN2CCOC(C(C)N)C2)cc1F
InChIInChI=1S/C14H21FN2O/c1-10-3-4-12(7-13(10)15)8-17-5-6-18-14(9-17)11(2)16/h3-4,7,11,14H,5-6,8-9,16H2,1-2H3
InChIKeyWJIBKNFUGYGUHB-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.68
Rot. Bonds3

About 1-[4-[(3-fluoro-4-methylphenyl)methyl]morpholin-2-yl]ethanamine

1-[4-[(3-fluoro-4-methylphenyl)methyl]morpholin-2-yl]ethanamine (PubChem CID 113284985) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-[4-[(3-fluoro-4-methylphenyl)methyl]morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-[(3-fluoro-4-methylphenyl)methyl]morpholin-2-yl]ethanamine
PubChem CID113284985
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-[4-[(3-fluoro-4-methylphenyl)methyl]morpholin-2-yl]ethanamine
SMILESCc1ccc(CN2CCOC(C(C)N)C2)cc1F
InChIInChI=1S/C14H21FN2O/c1-10-3-4-12(7-13(10)15)8-17-5-6-18-14(9-17)11(2)16/h3-4,7,11,14H,5-6,8-9,16H2,1-2H3
InChIKeyWJIBKNFUGYGUHB-UHFFFAOYSA-N
XLogP1.68
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(4-fluorophenyl)methyl]morpholin-2-yl]ethanamine
CID 81491103
1-[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]ethanamine
CID 81490139
1-[4-[(4-bromo-3-chlorophenyl)methyl]morpholin-2-yl]ethanamine
CID 114077089
(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine
CID 95396414
1-[4-[(4-nitrophenyl)methyl]morpholin-2-yl]ethanamine
CID 81491183
N-[4-[[2-(1-aminoethyl)morpholin-4-yl]methyl]phenyl]acetamide
CID 115314944
1-[4-[(5-methylthiophen-2-yl)methyl]morpholin-2-yl]ethanamine
CID 115315061
(3S)-1-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-ol
CID 103883025
1-[4-[(4-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]ethanamine
CID 81497211
1-[4-[(5-bromofuran-2-yl)methyl]morpholin-2-yl]ethanamine
CID 115314919
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 81497218
[4-[(4-amino-3-fluorophenyl)methyl]morpholin-2-yl]methanol
CID 81205798

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-fluoro-4-methylphenyl)methyl]morpholin-2-yl]ethanamine?
The IUPAC name of 1-[4-[(3-fluoro-4-methylphenyl)methyl]morpholin-2-yl]ethanamine (CID 113284985) is 1-[4-[(3-fluoro-4-methylphenyl)methyl]morpholin-2-yl]ethanamine.
What is the SMILES notation for 1-[4-[(3-fluoro-4-methylphenyl)methyl]morpholin-2-yl]ethanamine?
The canonical SMILES for 1-[4-[(3-fluoro-4-methylphenyl)methyl]morpholin-2-yl]ethanamine is Cc1ccc(CN2CCOC(C(C)N)C2)cc1F.
What is the InChIKey of 1-[4-[(3-fluoro-4-methylphenyl)methyl]morpholin-2-yl]ethanamine?
The InChIKey is WJIBKNFUGYGUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10-3-4-12(7-13(10)15)8-17-5-6-18-14(9-17)11(2)16/h3-4,7,11,14H,5-6,8-9,16H2,1-2H3.
What are the key properties of 1-[4-[(3-fluoro-4-methylphenyl)methyl]morpholin-2-yl]ethanamine?
1-[4-[(3-fluoro-4-methylphenyl)methyl]morpholin-2-yl]ethanamine has a molecular weight of 252.33 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-fluoro-4-methylphenyl)methyl]morpholin-2-yl]ethanamine is sourced from PubChem (CID 113284985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).