1-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]cyclohexane-1,4-diamine

C18H28FN3O — CID 175562234

IUPAC1-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]cyclohexane-1,4-diamine
SMILESCC1CN(c2ccc(C3(N)CCC(N)CC3)cc2F)CC(C)O1
InChIInChI=1S/C18H28FN3O/c1-12-10-22(11-13(2)23-12)17-4-3-14(9-16(17)19)18(21)7-5-15(20)6-8-18/h3-4,9,12-13,15H,5-8,10-11,20-21H2,1-2H3
InChIKeyZYXXVUFTSANORB-UHFFFAOYSA-N
MW321.44 g/mol
LogP2.49
Rot. Bonds2

About 1-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]cyclohexane-1,4-diamine

1-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]cyclohexane-1,4-diamine (PubChem CID 175562234) has the molecular formula C18H28FN3O and a molecular weight of 321.44 g/mol. Its IUPAC name is 1-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]cyclohexane-1,4-diamine
PubChem CID175562234
Molecular FormulaC18H28FN3O
Molecular Weight321.44 g/mol
Exact Mass321.22
IUPAC Name1-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]cyclohexane-1,4-diamine
SMILESCC1CN(c2ccc(C3(N)CCC(N)CC3)cc2F)CC(C)O1
InChIInChI=1S/C18H28FN3O/c1-12-10-22(11-13(2)23-12)17-4-3-14(9-16(17)19)18(21)7-5-15(20)6-8-18/h3-4,9,12-13,15H,5-8,10-11,20-21H2,1-2H3
InChIKeyZYXXVUFTSANORB-UHFFFAOYSA-N
XLogP2.49
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]cyclohexane-1,4-diamine?
The IUPAC name of 1-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]cyclohexane-1,4-diamine (CID 175562234) is 1-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 1-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]cyclohexane-1,4-diamine?
The canonical SMILES for 1-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]cyclohexane-1,4-diamine is CC1CN(c2ccc(C3(N)CCC(N)CC3)cc2F)CC(C)O1.
What is the InChIKey of 1-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]cyclohexane-1,4-diamine?
The InChIKey is ZYXXVUFTSANORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3O/c1-12-10-22(11-13(2)23-12)17-4-3-14(9-16(17)19)18(21)7-5-15(20)6-8-18/h3-4,9,12-13,15H,5-8,10-11,20-21H2,1-2H3.
What are the key properties of 1-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]cyclohexane-1,4-diamine?
1-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]cyclohexane-1,4-diamine has a molecular weight of 321.44 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 175562234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).