3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine

C17H25ClFN — CID 83159985

IUPAC3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CNCC(C)(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C17H25ClFN/c1-12(2)10-20-11-17(3,13-7-8-13)9-14-15(18)5-4-6-16(14)19/h4-6,12-13,20H,7-11H2,1-3H3
InChIKeyRCIQJIFPUSAVRO-UHFFFAOYSA-N
MW297.85 g/mol
LogP4.68
Rot. Bonds7

About 3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine

3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine (PubChem CID 83159985) has the molecular formula C17H25ClFN and a molecular weight of 297.85 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine
PubChem CID83159985
Molecular FormulaC17H25ClFN
Molecular Weight297.85 g/mol
Exact Mass297.17
IUPAC Name3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CNCC(C)(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C17H25ClFN/c1-12(2)10-20-11-17(3,13-7-8-13)9-14-15(18)5-4-6-16(14)19/h4-6,12-13,20H,7-11H2,1-3H3
InChIKeyRCIQJIFPUSAVRO-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.85
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 63507266
3-(4-chlorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 83159897
2-cyclopropyl-3-(2,6-dichlorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 83159242
N-[(2-chloro-6-fluorophenyl)methyl]-2-methylpropan-1-amine;ethane
CID 142079135
2-cyclopropyl-3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159631
2-(2-chloro-6-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 63517002
3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine
CID 112567073
2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 83159454
2-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-1-chloro-3-fluorobenzene
CID 63518313
N-[3-(3-chloro-2-fluorophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
CID 102859235
1-(2-chloro-3-fluorophenyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol
CID 112654826
2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]acetamide
CID 99873881

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine (CID 83159985) is 3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine is CC(C)CNCC(C)(Cc1c(F)cccc1Cl)C1CC1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine?
The InChIKey is RCIQJIFPUSAVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFN/c1-12(2)10-20-11-17(3,13-7-8-13)9-14-15(18)5-4-6-16(14)19/h4-6,12-13,20H,7-11H2,1-3H3.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine?
3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine has a molecular weight of 297.85 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 83159985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).