1-(2-chloro-6-fluorophenyl)-N-ethyl-4-propoxybutan-2-amine

C15H23ClFNO — CID 105105675

IUPAC1-(2-chloro-6-fluorophenyl)-N-ethyl-4-propoxybutan-2-amine
SMILESCCCOCCC(Cc1c(F)cccc1Cl)NCC
InChIInChI=1S/C15H23ClFNO/c1-3-9-19-10-8-12(18-4-2)11-13-14(16)6-5-7-15(13)17/h5-7,12,18H,3-4,8-11H2,1-2H3
InChIKeyOOXHERRIJIIFQK-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.82
Rot. Bonds9

About 1-(2-chloro-6-fluorophenyl)-N-ethyl-4-propoxybutan-2-amine

1-(2-chloro-6-fluorophenyl)-N-ethyl-4-propoxybutan-2-amine (PubChem CID 105105675) has the molecular formula C15H23ClFNO and a molecular weight of 287.81 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-ethyl-4-propoxybutan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-ethyl-4-propoxybutan-2-amine
PubChem CID105105675
Molecular FormulaC15H23ClFNO
Molecular Weight287.81 g/mol
Exact Mass287.15
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-ethyl-4-propoxybutan-2-amine
SMILESCCCOCCC(Cc1c(F)cccc1Cl)NCC
InChIInChI=1S/C15H23ClFNO/c1-3-9-19-10-8-12(18-4-2)11-13-14(16)6-5-7-15(13)17/h5-7,12,18H,3-4,8-11H2,1-2H3
InChIKeyOOXHERRIJIIFQK-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-6-fluorophenyl)-N-ethylheptan-2-amine
CID 63420252
1-(2,6-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 112688260
1-(2-chloro-6-fluorophenyl)-N-ethyl-5-methoxy-5-methylhexan-2-amine
CID 103031888
[1-(2,6-dichlorophenyl)-4-propoxybutan-2-yl]hydrazine
CID 105293129
1-(2-chloro-6-fluorophenyl)-5-methoxy-N-propylpentan-2-amine
CID 55145614
[1-(2-chloro-6-fluorophenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151588
1-(2-chloro-6-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103164119
1-(2-chloro-6-fluorophenyl)-N-ethyl-3-propylhexan-2-amine
CID 82987218
1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methylidenehexan-2-amine
CID 66040411
4-butoxy-1-(2-chloro-6-fluorophenyl)butan-2-amine
CID 55145226
1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-ethylpropan-2-amine
CID 63420097
1-(2,6-dichlorophenyl)-N-ethyl-5-methoxypentan-2-amine
CID 62604328

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-ethyl-4-propoxybutan-2-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-ethyl-4-propoxybutan-2-amine (CID 105105675) is 1-(2-chloro-6-fluorophenyl)-N-ethyl-4-propoxybutan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-ethyl-4-propoxybutan-2-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-ethyl-4-propoxybutan-2-amine is CCCOCCC(Cc1c(F)cccc1Cl)NCC.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-ethyl-4-propoxybutan-2-amine?
The InChIKey is OOXHERRIJIIFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFNO/c1-3-9-19-10-8-12(18-4-2)11-13-14(16)6-5-7-15(13)17/h5-7,12,18H,3-4,8-11H2,1-2H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-ethyl-4-propoxybutan-2-amine?
1-(2-chloro-6-fluorophenyl)-N-ethyl-4-propoxybutan-2-amine has a molecular weight of 287.81 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-N-ethyl-4-propoxybutan-2-amine is sourced from PubChem (CID 105105675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).