2-(2-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine

C15H21ClFN — CID 105032540

IUPAC2-(2-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
SMILESCC1(C)C(C(N)Cc2cccc(F)c2Cl)C1(C)C
InChIInChI=1S/C15H21ClFN/c1-14(2)13(15(14,3)4)11(18)8-9-6-5-7-10(17)12(9)16/h5-7,11,13H,8,18H2,1-4H3
InChIKeyUGYFOUVMQNNVID-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.03
Rot. Bonds3

About 2-(2-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine

2-(2-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine (PubChem CID 105032540) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
PubChem CID105032540
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
SMILESCC1(C)C(C(N)Cc2cccc(F)c2Cl)C1(C)C
InChIInChI=1S/C15H21ClFN/c1-14(2)13(15(14,3)4)11(18)8-9-6-5-7-10(17)12(9)16/h5-7,11,13H,8,18H2,1-4H3
InChIKeyUGYFOUVMQNNVID-UHFFFAOYSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 105032629
3-(2-chloro-3-fluorophenyl)-1,1-dimethoxypropan-2-amine
CID 112653856
2-(2-chloro-3-fluorophenyl)-1-(1,4-dithian-2-yl)ethanamine
CID 112653875
1-(2-chloro-3-fluorophenyl)octan-2-amine
CID 105032513
2-(2-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
CID 105032385
1-(2-chloro-3-fluorophenyl)nonan-2-amine
CID 105032502
1-amino-3-(2-chloro-3-fluorophenyl)propan-2-ol
CID 112653165
2-(2-chloro-3-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylethanamine
CID 115983806
1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-amine
CID 115983731
2-(2-chloro-3-fluorophenyl)-N-methyl-1-(1-methylcyclopropyl)ethanamine
CID 112653897
2-[(2-chloro-3-fluorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine
CID 115984177
2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclobutyl)ethanamine
CID 115983760

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine (CID 105032540) is 2-(2-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine is CC1(C)C(C(N)Cc2cccc(F)c2Cl)C1(C)C.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine?
The InChIKey is UGYFOUVMQNNVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-14(2)13(15(14,3)4)11(18)8-9-6-5-7-10(17)12(9)16/h5-7,11,13H,8,18H2,1-4H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine?
2-(2-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine has a molecular weight of 269.79 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine is sourced from PubChem (CID 105032540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).