1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-3-methylbutan-1-amine

C14H21ClFNO — CID 103028736

IUPAC1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
SMILESCCNC(CC(C)(C)OC)c1ccc(Cl)cc1F
InChIInChI=1S/C14H21ClFNO/c1-5-17-13(9-14(2,3)18-4)11-7-6-10(15)8-12(11)16/h6-8,13,17H,5,9H2,1-4H3
InChIKeyJXRHOSXICHQBAA-UHFFFAOYSA-N
MW273.78 g/mol
LogP3.94
Rot. Bonds6

About 1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-3-methylbutan-1-amine

1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-3-methylbutan-1-amine (PubChem CID 103028736) has the molecular formula C14H21ClFNO and a molecular weight of 273.78 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
PubChem CID103028736
Molecular FormulaC14H21ClFNO
Molecular Weight273.78 g/mol
Exact Mass273.13
IUPAC Name1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
SMILESCCNC(CC(C)(C)OC)c1ccc(Cl)cc1F
InChIInChI=1S/C14H21ClFNO/c1-5-17-13(9-14(2,3)18-4)11-7-6-10(15)8-12(11)16/h6-8,13,17H,5,9H2,1-4H3
InChIKeyJXRHOSXICHQBAA-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 4550247
[1-(4-Chlorophenyl)-2-methoxyethyl](methyl)amine
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4-(4-chlorophenyl)-N-propyloxan-4-amine
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4-(4-chlorophenyl)-N-(2-ethoxyethyl)oxan-4-amine
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[(2-Chloro-4-fluorophenyl)methyl](3-ethoxypropyl)amine
CID 4548093
((4-Chlorophenyl)(oxan-4-yl)methyl)(methyl)amine
CID 62907401
3-(4-Chloro-3-fluorophenyl)morpholine
CID 129944039
1-(2-Chloro-6-fluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103024949
1-(2-chloro-6-fluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine
CID 103024950
1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine
CID 103024951

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-3-methylbutan-1-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-3-methylbutan-1-amine (CID 103028736) is 1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-3-methylbutan-1-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-3-methylbutan-1-amine is CCNC(CC(C)(C)OC)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-3-methylbutan-1-amine?
The InChIKey is JXRHOSXICHQBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFNO/c1-5-17-13(9-14(2,3)18-4)11-7-6-10(15)8-12(11)16/h6-8,13,17H,5,9H2,1-4H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-3-methylbutan-1-amine?
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-3-methylbutan-1-amine has a molecular weight of 273.78 g/mol, XLogP of 3.94, 6 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-3-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 103028736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).