1-(3-chloro-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine

C16H24ClFN2O — CID 102857723

IUPAC1-(3-chloro-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
SMILESCCC(C)(C(N)Cc1cccc(Cl)c1F)N1CCOCC1
InChIInChI=1S/C16H24ClFN2O/c1-3-16(2,20-7-9-21-10-8-20)14(19)11-12-5-4-6-13(17)15(12)18/h4-6,14H,3,7-11,19H2,1-2H3
InChIKeyLQPWEGSZHRIVGT-UHFFFAOYSA-N
MW314.83 g/mol
LogP2.85
Rot. Bonds5

About 1-(3-chloro-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine

1-(3-chloro-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine (PubChem CID 102857723) has the molecular formula C16H24ClFN2O and a molecular weight of 314.83 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
PubChem CID102857723
Molecular FormulaC16H24ClFN2O
Molecular Weight314.83 g/mol
Exact Mass314.16
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
SMILESCCC(C)(C(N)Cc1cccc(Cl)c1F)N1CCOCC1
InChIInChI=1S/C16H24ClFN2O/c1-3-16(2,20-7-9-21-10-8-20)14(19)11-12-5-4-6-13(17)15(12)18/h4-6,14H,3,7-11,19H2,1-2H3
InChIKeyLQPWEGSZHRIVGT-UHFFFAOYSA-N
XLogP2.85
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.83
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-amine
CID 102857722
3-(2-amino-3-methyl-3-morpholin-4-ylpentyl)pyridin-2-amine
CID 79065403
3-methyl-3-morpholin-4-yl-1-phenylpentan-2-amine
CID 79065628
1-(4-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
CID 79057613
1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-ol
CID 107308193
1-(2-fluoro-3-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine
CID 104794095
1-(2,5-dimethylphenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
CID 79057606
1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
CID 79065554
1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-amine
CID 103040217
[1-(2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-yl]hydrazine
CID 105241498
1-(3-chloro-2-fluorophenyl)-3-N,3-N,3-triethylpentane-2,3-diamine
CID 102857727
1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol
CID 107308188

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine (CID 102857723) is 1-(3-chloro-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine is CCC(C)(C(N)Cc1cccc(Cl)c1F)N1CCOCC1.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine?
The InChIKey is LQPWEGSZHRIVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClFN2O/c1-3-16(2,20-7-9-21-10-8-20)14(19)11-12-5-4-6-13(17)15(12)18/h4-6,14H,3,7-11,19H2,1-2H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine?
1-(3-chloro-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine has a molecular weight of 314.83 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine is sourced from PubChem (CID 102857723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).