6-fluoro-1-methyl-4-(morpholin-4-ylmethyl)cyclohexa-2,4-dien-1-amine

C12H19FN2O — CID 162439986

IUPAC6-fluoro-1-methyl-4-(morpholin-4-ylmethyl)cyclohexa-2,4-dien-1-amine
SMILESCC1(N)C=CC(CN2CCOCC2)=CC1F
InChIInChI=1S/C12H19FN2O/c1-12(14)3-2-10(8-11(12)13)9-15-4-6-16-7-5-15/h2-3,8,11H,4-7,9,14H2,1H3
InChIKeyHHSSINYURPLGOO-UHFFFAOYSA-N
MW226.29 g/mol
LogP0.87
Rot. Bonds2

About 6-fluoro-1-methyl-4-(morpholin-4-ylmethyl)cyclohexa-2,4-dien-1-amine

6-fluoro-1-methyl-4-(morpholin-4-ylmethyl)cyclohexa-2,4-dien-1-amine (PubChem CID 162439986) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 6-fluoro-1-methyl-4-(morpholin-4-ylmethyl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-fluoro-1-methyl-4-(morpholin-4-ylmethyl)cyclohexa-2,4-dien-1-amine
PubChem CID162439986
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name6-fluoro-1-methyl-4-(morpholin-4-ylmethyl)cyclohexa-2,4-dien-1-amine
SMILESCC1(N)C=CC(CN2CCOCC2)=CC1F
InChIInChI=1S/C12H19FN2O/c1-12(14)3-2-10(8-11(12)13)9-15-4-6-16-7-5-15/h2-3,8,11H,4-7,9,14H2,1H3
InChIKeyHHSSINYURPLGOO-UHFFFAOYSA-N
XLogP0.87
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-1-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 67527428
1-Methyl-4-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 68805837
4-Methyl-4-morpholin-4-yl-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 141342997
4-[(E)-5-fluoro-3-methylhept-4-en-3-yl]morpholine
CID 155178039
4-[(2-Fluoro-6-methylcyclohexa-1,5-dien-1-yl)methyl]morpholine
CID 167101631
[1-Methyl-4-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]azanide
CID 158358218
5-Methyl-5-morpholin-4-ylcyclohexa-1,3-dien-1-amine
CID 19754038
2,6-Dimethyl-1-morpholin-4-ylcyclohexa-2,4-dien-1-amine
CID 67528464
4-(1-Ethylcyclohexa-2,4-dien-1-yl)morpholine
CID 69815201
4-(3-Ethylcyclohexa-2,4-dien-1-yl)morpholine
CID 89265156
4-(4-Methylcyclohexa-2,4-dien-1-yl)morpholine
CID 89399005
(2Z,4Z)-4-(2-morpholin-4-ylethyl)hexa-2,4-dien-1-amine
CID 89940285

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-4-(morpholin-4-ylmethyl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-fluoro-1-methyl-4-(morpholin-4-ylmethyl)cyclohexa-2,4-dien-1-amine (CID 162439986) is 6-fluoro-1-methyl-4-(morpholin-4-ylmethyl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-fluoro-1-methyl-4-(morpholin-4-ylmethyl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-fluoro-1-methyl-4-(morpholin-4-ylmethyl)cyclohexa-2,4-dien-1-amine is CC1(N)C=CC(CN2CCOCC2)=CC1F.
What is the InChIKey of 6-fluoro-1-methyl-4-(morpholin-4-ylmethyl)cyclohexa-2,4-dien-1-amine?
The InChIKey is HHSSINYURPLGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-12(14)3-2-10(8-11(12)13)9-15-4-6-16-7-5-15/h2-3,8,11H,4-7,9,14H2,1H3.
What are the key properties of 6-fluoro-1-methyl-4-(morpholin-4-ylmethyl)cyclohexa-2,4-dien-1-amine?
6-fluoro-1-methyl-4-(morpholin-4-ylmethyl)cyclohexa-2,4-dien-1-amine has a molecular weight of 226.29 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methyl-4-(morpholin-4-ylmethyl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 162439986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).