1-(2-chloro-5-fluorophenyl)-2-ethoxy-3,3-dimethylbutan-1-amine

C14H21ClFNO — CID 105395504

IUPAC1-(2-chloro-5-fluorophenyl)-2-ethoxy-3,3-dimethylbutan-1-amine
SMILESCCOC(C(N)c1cc(F)ccc1Cl)C(C)(C)C
InChIInChI=1S/C14H21ClFNO/c1-5-18-13(14(2,3)4)12(17)10-8-9(16)6-7-11(10)15/h6-8,12-13H,5,17H2,1-4H3
InChIKeyKLOMNMSYARIJRK-UHFFFAOYSA-N
MW273.78 g/mol
LogP3.93
Rot. Bonds4

About 1-(2-chloro-5-fluorophenyl)-2-ethoxy-3,3-dimethylbutan-1-amine

1-(2-chloro-5-fluorophenyl)-2-ethoxy-3,3-dimethylbutan-1-amine (PubChem CID 105395504) has the molecular formula C14H21ClFNO and a molecular weight of 273.78 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-2-ethoxy-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-2-ethoxy-3,3-dimethylbutan-1-amine
PubChem CID105395504
Molecular FormulaC14H21ClFNO
Molecular Weight273.78 g/mol
Exact Mass273.13
IUPAC Name1-(2-chloro-5-fluorophenyl)-2-ethoxy-3,3-dimethylbutan-1-amine
SMILESCCOC(C(N)c1cc(F)ccc1Cl)C(C)(C)C
InChIInChI=1S/C14H21ClFNO/c1-5-18-13(14(2,3)4)12(17)10-8-9(16)6-7-11(10)15/h6-8,12-13H,5,17H2,1-4H3
InChIKeyKLOMNMSYARIJRK-UHFFFAOYSA-N
XLogP3.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-5-fluorophenyl)-2-ethylbutan-1-amine
CID 105397485
1-(2,5-dimethylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine
CID 116725300
(S)-(2-chloro-5-fluorophenyl)-diethoxyphosphorylmethanamine
CID 171191766
1-(5-fluoro-2-methylphenyl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 116724075
3-(2-chloro-5-fluorophenyl)-1,1-diethoxypropan-2-amine
CID 102619111
3-ethoxy-1-(3-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 116725273
1-(2-chloro-5-fluorophenyl)-2-methylbutane-1,2-diol
CID 103448569
N-[2-(2-chloro-5-fluorophenyl)-2-fluoroethyl]-2-methylpropan-2-amine
CID 107446807
1-(2-chloro-5-fluorophenyl)-2-ethylsulfanylethanamine
CID 105395000
[1-(2-chloro-5-fluorophenyl)-2,2-dimethylpropyl]hydrazine
CID 105397762
[1-(2-chloro-5-fluorophenyl)-2-ethoxypentyl]hydrazine
CID 105397975
1-(2-chloro-4-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-one
CID 116710056

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-ethoxy-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-ethoxy-3,3-dimethylbutan-1-amine (CID 105395504) is 1-(2-chloro-5-fluorophenyl)-2-ethoxy-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-2-ethoxy-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-2-ethoxy-3,3-dimethylbutan-1-amine is CCOC(C(N)c1cc(F)ccc1Cl)C(C)(C)C.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-2-ethoxy-3,3-dimethylbutan-1-amine?
The InChIKey is KLOMNMSYARIJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFNO/c1-5-18-13(14(2,3)4)12(17)10-8-9(16)6-7-11(10)15/h6-8,12-13H,5,17H2,1-4H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-2-ethoxy-3,3-dimethylbutan-1-amine?
1-(2-chloro-5-fluorophenyl)-2-ethoxy-3,3-dimethylbutan-1-amine has a molecular weight of 273.78 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-2-ethoxy-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 105395504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).