1-N-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylcyclohexane-1,3-diamine

C16H23ClFN3O — CID 67627946

IUPAC1-N-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylcyclohexane-1,3-diamine
SMILESNC1CCCC(Nc2ccc(F)c(Cl)c2)(N2CCOCC2)C1
InChIInChI=1S/C16H23ClFN3O/c17-14-10-13(3-4-15(14)18)20-16(5-1-2-12(19)11-16)21-6-8-22-9-7-21/h3-4,10,12,20H,1-2,5-9,11,19H2
InChIKeySZZQFVXTRYTZQM-UHFFFAOYSA-N
MW327.83 g/mol
LogP2.82
Rot. Bonds3

About 1-N-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylcyclohexane-1,3-diamine

1-N-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylcyclohexane-1,3-diamine (PubChem CID 67627946) has the molecular formula C16H23ClFN3O and a molecular weight of 327.83 g/mol. Its IUPAC name is 1-N-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylcyclohexane-1,3-diamine
PubChem CID67627946
Molecular FormulaC16H23ClFN3O
Molecular Weight327.83 g/mol
Exact Mass327.15
IUPAC Name1-N-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylcyclohexane-1,3-diamine
SMILESNC1CCCC(Nc2ccc(F)c(Cl)c2)(N2CCOCC2)C1
InChIInChI=1S/C16H23ClFN3O/c17-14-10-13(3-4-15(14)18)20-16(5-1-2-12(19)11-16)21-6-8-22-9-7-21/h3-4,10,12,20H,1-2,5-9,11,19H2
InChIKeySZZQFVXTRYTZQM-UHFFFAOYSA-N
XLogP2.82
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.83
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(3-chloro-4-fluorophenyl)-1-piperazin-1-ylcyclohexane-1,3-diamine
CID 67627985
1-N-(3-chloro-4-fluorophenyl)-1-(methylaminomethyl)cyclohexane-1,3-diamine
CID 67629606
3-chloro-4-fluoro-N-(oxan-4-ylmethyl)aniline
CID 62384448
(4S)-4-amino-N-(3-chloro-4-fluorophenyl)azepane-1-carboxamide
CID 95711738
3-[(3-chloro-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 103041673
1-[4-(aminomethyl)oxane-4-carbonyl]-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide
CID 120932978
3-chloro-4-fluoro-N-[1-(piperidin-1-ylmethyl)cyclohexyl]aniline
CID 174369452
3-chloro-N-cyclopentyl-4-fluoroaniline
CID 28938400
(3R)-1-[(3-chloro-4-fluorophenyl)methyl]piperidin-3-amine
CID 24904788
N-(3-chloro-4-fluorophenyl)spiro[4.5]decan-8-amine
CID 114817207
[1-(3-chloro-4-fluoroanilino)cyclohexyl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 174388279
methyl 4-amino-4-(3-chloro-4-fluoroanilino)piperidine-1-carboxylate
CID 67629105

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylcyclohexane-1,3-diamine?
The IUPAC name of 1-N-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylcyclohexane-1,3-diamine (CID 67627946) is 1-N-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylcyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylcyclohexane-1,3-diamine?
The canonical SMILES for 1-N-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylcyclohexane-1,3-diamine is NC1CCCC(Nc2ccc(F)c(Cl)c2)(N2CCOCC2)C1.
What is the InChIKey of 1-N-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylcyclohexane-1,3-diamine?
The InChIKey is SZZQFVXTRYTZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN3O/c17-14-10-13(3-4-15(14)18)20-16(5-1-2-12(19)11-16)21-6-8-22-9-7-21/h3-4,10,12,20H,1-2,5-9,11,19H2.
What are the key properties of 1-N-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylcyclohexane-1,3-diamine?
1-N-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylcyclohexane-1,3-diamine has a molecular weight of 327.83 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylcyclohexane-1,3-diamine is sourced from PubChem (CID 67627946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).