1-(2-chloro-4-fluorophenyl)-N-ethyl-5-(oxolan-2-yl)pentan-2-amine

C17H25ClFNO — CID 65164657

IUPAC1-(2-chloro-4-fluorophenyl)-N-ethyl-5-(oxolan-2-yl)pentan-2-amine
SMILESCCNC(CCCC1CCCO1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C17H25ClFNO/c1-2-20-15(5-3-6-16-7-4-10-21-16)11-13-8-9-14(19)12-17(13)18/h8-9,12,15-16,20H,2-7,10-11H2,1H3
InChIKeyXUVWXJMZRXUUHL-UHFFFAOYSA-N
MW313.84 g/mol
LogP4.35
Rot. Bonds8

About 1-(2-chloro-4-fluorophenyl)-N-ethyl-5-(oxolan-2-yl)pentan-2-amine

1-(2-chloro-4-fluorophenyl)-N-ethyl-5-(oxolan-2-yl)pentan-2-amine (PubChem CID 65164657) has the molecular formula C17H25ClFNO and a molecular weight of 313.84 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-N-ethyl-5-(oxolan-2-yl)pentan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-N-ethyl-5-(oxolan-2-yl)pentan-2-amine
PubChem CID65164657
Molecular FormulaC17H25ClFNO
Molecular Weight313.84 g/mol
Exact Mass313.16
IUPAC Name1-(2-chloro-4-fluorophenyl)-N-ethyl-5-(oxolan-2-yl)pentan-2-amine
SMILESCCNC(CCCC1CCCO1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C17H25ClFNO/c1-2-20-15(5-3-6-16-7-4-10-21-16)11-13-8-9-14(19)12-17(13)18/h8-9,12,15-16,20H,2-7,10-11H2,1H3
InChIKeyXUVWXJMZRXUUHL-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.84
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-fluoro-2-methylphenyl)-4-(oxolan-2-yl)butan-2-amine
CID 105050994
N-ethyl-1-(4-fluorophenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65167136
N-ethyl-1-(4-fluoro-2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 105050949
1-(4-chloro-2-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
CID 105055271
1-(2,5-dimethylphenyl)-N-ethyl-5-(oxolan-2-yl)pentan-2-amine
CID 104993079
1-(2-chloro-4-fluorophenyl)-N-ethylpentan-2-amine
CID 62602369
1-(2-chloro-4-fluorophenyl)-3-(oxolan-2-yl)propan-2-ol
CID 62607059
1-(2-chlorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 65164845
[1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-yl]hydrazine
CID 105267279
N-ethyl-1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65164597
1-(2-chloro-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 63420165
N-ethyl-1-(4-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65167283

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-ethyl-5-(oxolan-2-yl)pentan-2-amine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-ethyl-5-(oxolan-2-yl)pentan-2-amine (CID 65164657) is 1-(2-chloro-4-fluorophenyl)-N-ethyl-5-(oxolan-2-yl)pentan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-N-ethyl-5-(oxolan-2-yl)pentan-2-amine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-N-ethyl-5-(oxolan-2-yl)pentan-2-amine is CCNC(CCCC1CCCO1)Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-N-ethyl-5-(oxolan-2-yl)pentan-2-amine?
The InChIKey is XUVWXJMZRXUUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFNO/c1-2-20-15(5-3-6-16-7-4-10-21-16)11-13-8-9-14(19)12-17(13)18/h8-9,12,15-16,20H,2-7,10-11H2,1H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-N-ethyl-5-(oxolan-2-yl)pentan-2-amine?
1-(2-chloro-4-fluorophenyl)-N-ethyl-5-(oxolan-2-yl)pentan-2-amine has a molecular weight of 313.84 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-N-ethyl-5-(oxolan-2-yl)pentan-2-amine is sourced from PubChem (CID 65164657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).