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

C14H21FN2O — CID 74251395

IUPAC2-[4-[(4-fluoro-2-methylphenyl)methyl]morpholin-2-yl]ethanamine
SMILESCc1cc(F)ccc1CN1CCOC(CCN)C1
InChIInChI=1S/C14H21FN2O/c1-11-8-13(15)3-2-12(11)9-17-6-7-18-14(10-17)4-5-16/h2-3,8,14H,4-7,9-10,16H2,1H3
InChIKeyVDKHESUVGPNGLD-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.68
Rot. Bonds4

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

2-[4-[(4-fluoro-2-methylphenyl)methyl]morpholin-2-yl]ethanamine (PubChem CID 74251395) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-[4-[(4-fluoro-2-methylphenyl)methyl]morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[(4-fluoro-2-methylphenyl)methyl]morpholin-2-yl]ethanamine
PubChem CID74251395
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-[4-[(4-fluoro-2-methylphenyl)methyl]morpholin-2-yl]ethanamine
SMILESCc1cc(F)ccc1CN1CCOC(CCN)C1
InChIInChI=1S/C14H21FN2O/c1-11-8-13(15)3-2-12(11)9-17-6-7-18-14(10-17)4-5-16/h2-3,8,14H,4-7,9-10,16H2,1H3
InChIKeyVDKHESUVGPNGLD-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluoro-2-methylphenyl)methyl]morpholin-2-yl]ethanamine?
The IUPAC name of 2-[4-[(4-fluoro-2-methylphenyl)methyl]morpholin-2-yl]ethanamine (CID 74251395) is 2-[4-[(4-fluoro-2-methylphenyl)methyl]morpholin-2-yl]ethanamine.
What is the SMILES notation for 2-[4-[(4-fluoro-2-methylphenyl)methyl]morpholin-2-yl]ethanamine?
The canonical SMILES for 2-[4-[(4-fluoro-2-methylphenyl)methyl]morpholin-2-yl]ethanamine is Cc1cc(F)ccc1CN1CCOC(CCN)C1.
What is the InChIKey of 2-[4-[(4-fluoro-2-methylphenyl)methyl]morpholin-2-yl]ethanamine?
The InChIKey is VDKHESUVGPNGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-11-8-13(15)3-2-12(11)9-17-6-7-18-14(10-17)4-5-16/h2-3,8,14H,4-7,9-10,16H2,1H3.
What are the key properties of 2-[4-[(4-fluoro-2-methylphenyl)methyl]morpholin-2-yl]ethanamine?
2-[4-[(4-fluoro-2-methylphenyl)methyl]morpholin-2-yl]ethanamine has a molecular weight of 252.33 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluoro-2-methylphenyl)methyl]morpholin-2-yl]ethanamine is sourced from PubChem (CID 74251395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).