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

C16H23ClFNO — CID 105055271

IUPAC1-(4-chloro-2-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
SMILESCCNC(CCC1CCCO1)Cc1ccc(Cl)cc1F
InChIInChI=1S/C16H23ClFNO/c1-2-19-14(7-8-15-4-3-9-20-15)10-12-5-6-13(17)11-16(12)18/h5-6,11,14-15,19H,2-4,7-10H2,1H3
InChIKeyJJAXDEHXYIABAO-UHFFFAOYSA-N
MW299.82 g/mol
LogP3.96
Rot. Bonds7

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

1-(4-chloro-2-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine (PubChem CID 105055271) has the molecular formula C16H23ClFNO and a molecular weight of 299.82 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
PubChem CID105055271
Molecular FormulaC16H23ClFNO
Molecular Weight299.82 g/mol
Exact Mass299.15
IUPAC Name1-(4-chloro-2-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
SMILESCCNC(CCC1CCCO1)Cc1ccc(Cl)cc1F
InChIInChI=1S/C16H23ClFNO/c1-2-19-14(7-8-15-4-3-9-20-15)10-12-5-6-13(17)11-16(12)18/h5-6,11,14-15,19H,2-4,7-10H2,1H3
InChIKeyJJAXDEHXYIABAO-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 53.96
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-fluoro-2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 105050949
1-(3-bromo-4-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
CID 115818461
1-(2-chloro-4-fluorophenyl)-N-ethyl-5-(oxolan-2-yl)pentan-2-amine
CID 65164657
1-(4-bromo-2-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 115844482
[1-(2,4-dichlorophenyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine
CID 105200125
1-(4-chloro-2-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 65164611
N-ethyl-1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 63950955
1-(2,6-dimethylphenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
CID 105024443
1-(3-chloro-4-pyridinyl)-N-ethyl-4-(oxan-2-yl)butan-2-amine
CID 115984984
N-ethyl-1-(4-fluorophenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65167136
1-(4-bromo-2-chlorophenyl)-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 105037671

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine (CID 105055271) is 1-(4-chloro-2-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine is CCNC(CCC1CCCO1)Cc1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine?
The InChIKey is JJAXDEHXYIABAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFNO/c1-2-19-14(7-8-15-4-3-9-20-15)10-12-5-6-13(17)11-16(12)18/h5-6,11,14-15,19H,2-4,7-10H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine?
1-(4-chloro-2-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine has a molecular weight of 299.82 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine is sourced from PubChem (CID 105055271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).