[2-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanamine

C12H17FN2O — CID 115366639

IUPAC[2-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanamine
SMILESCC1CN(c2ccc(CN)c(F)c2)CCO1
InChIInChI=1S/C12H17FN2O/c1-9-8-15(4-5-16-9)11-3-2-10(7-14)12(13)6-11/h2-3,6,9H,4-5,7-8,14H2,1H3
InChIKeyNMLXSFKJDCPNEL-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.51
Rot. Bonds2

About [2-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanamine

[2-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanamine (PubChem CID 115366639) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is [2-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanamine
PubChem CID115366639
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name[2-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanamine
SMILESCC1CN(c2ccc(CN)c(F)c2)CCO1
InChIInChI=1S/C12H17FN2O/c1-9-8-15(4-5-16-9)11-3-2-10(7-14)12(13)6-11/h2-3,6,9H,4-5,7-8,14H2,1H3
InChIKeyNMLXSFKJDCPNEL-UHFFFAOYSA-N
XLogP1.51
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-methyl-1,4-oxazepan-4-yl)-2-(trifluoromethyl)phenyl]methanamine
CID 62988072
[2-fluoro-4-(1,4-oxazepan-4-yl)phenyl]methanamine
CID 115366849
[5-(2-methylmorpholin-4-yl)-2-pyridinyl]methanamine
CID 115486800
[2-(2-methylmorpholin-4-yl)-4-(trifluoromethyl)phenyl]methanamine
CID 169489143
[4-(azocan-1-yl)-2-fluorophenyl]methanamine
CID 115366666
1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol
CID 112624320
[4-methoxy-2-(2-methylmorpholin-4-yl)phenyl]methanamine
CID 81298189
1-[2-methyl-4-(2-methylmorpholin-4-yl)phenyl]butan-2-amine
CID 63787083
2,6-difluoro-4-[(2S)-2-methylmorpholin-4-yl]benzoic acid
CID 146567123
[4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenyl]methanamine
CID 64768324
(2-fluoro-4-thiomorpholin-4-ylphenyl)methanamine
CID 115366694
[4-(4-cyclopropylpiperazin-1-yl)-2-fluorophenyl]methanamine
CID 113295404

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanamine?
The IUPAC name of [2-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanamine (CID 115366639) is [2-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanamine.
What is the SMILES notation for [2-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanamine?
The canonical SMILES for [2-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanamine is CC1CN(c2ccc(CN)c(F)c2)CCO1.
What is the InChIKey of [2-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanamine?
The InChIKey is NMLXSFKJDCPNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-9-8-15(4-5-16-9)11-3-2-10(7-14)12(13)6-11/h2-3,6,9H,4-5,7-8,14H2,1H3.
What are the key properties of [2-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanamine?
[2-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanamine has a molecular weight of 224.28 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanamine is sourced from PubChem (CID 115366639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).