3-(5-chloro-2-fluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine

C13H19ClFN — CID 103049675

IUPAC3-(5-chloro-2-fluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
SMILESCCNCC(C)(C)Cc1cc(Cl)ccc1F
InChIInChI=1S/C13H19ClFN/c1-4-16-9-13(2,3)8-10-7-11(14)5-6-12(10)15/h5-7,16H,4,8-9H2,1-3H3
InChIKeyJCUQNAHWRPLFAE-UHFFFAOYSA-N
MW243.75 g/mol
LogP3.66
Rot. Bonds5

About 3-(5-chloro-2-fluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine

3-(5-chloro-2-fluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine (PubChem CID 103049675) has the molecular formula C13H19ClFN and a molecular weight of 243.75 g/mol. Its IUPAC name is 3-(5-chloro-2-fluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-2-fluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
PubChem CID103049675
Molecular FormulaC13H19ClFN
Molecular Weight243.75 g/mol
Exact Mass243.12
IUPAC Name3-(5-chloro-2-fluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
SMILESCCNCC(C)(C)Cc1cc(Cl)ccc1F
InChIInChI=1S/C13H19ClFN/c1-4-16-9-13(2,3)8-10-7-11(14)5-6-12(10)15/h5-7,16H,4,8-9H2,1-3H3
InChIKeyJCUQNAHWRPLFAE-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.75
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,3-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 62723528
3-(2-chlorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 62725326
4-(5-chloro-2-fluorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 103051801
2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 82491545
4-chloro-2-[3-chloro-2-(chloromethyl)-2-methylpropyl]-1-fluorobenzene
CID 103051481
1-(5-bromo-2-fluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 66036998
3-(5-chloro-2-fluorophenyl)-2-hydroxy-2-methylpropanal
CID 103047679
4-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 81023645
3-(4-chloro-3-fluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 82727591
2-[(2,5-dichlorophenyl)methyl]-N-ethyl-2-methylbut-3-en-1-amine
CID 102640703
1-(2,4-dichlorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 66039611
3-(4-chloro-2-fluorophenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 114858536

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-(5-chloro-2-fluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine (CID 103049675) is 3-(5-chloro-2-fluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(5-chloro-2-fluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(5-chloro-2-fluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine is CCNCC(C)(C)Cc1cc(Cl)ccc1F.
What is the InChIKey of 3-(5-chloro-2-fluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine?
The InChIKey is JCUQNAHWRPLFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFN/c1-4-16-9-13(2,3)8-10-7-11(14)5-6-12(10)15/h5-7,16H,4,8-9H2,1-3H3.
What are the key properties of 3-(5-chloro-2-fluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine?
3-(5-chloro-2-fluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine has a molecular weight of 243.75 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-fluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 103049675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).