2-(2-chloro-6-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine

C16H25ClFN — CID 63517002

IUPAC2-(2-chloro-6-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine
SMILESCCC(CC)(CNCC(C)C)c1c(F)cccc1Cl
InChIInChI=1S/C16H25ClFN/c1-5-16(6-2,11-19-10-12(3)4)15-13(17)8-7-9-14(15)18/h7-9,12,19H,5-6,10-11H2,1-4H3
InChIKeySMODVFVMKYZUOJ-UHFFFAOYSA-N
MW285.83 g/mol
LogP4.78
Rot. Bonds7

About 2-(2-chloro-6-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine

2-(2-chloro-6-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 63517002) has the molecular formula C16H25ClFN and a molecular weight of 285.83 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine
PubChem CID63517002
Molecular FormulaC16H25ClFN
Molecular Weight285.83 g/mol
Exact Mass285.17
IUPAC Name2-(2-chloro-6-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine
SMILESCCC(CC)(CNCC(C)C)c1c(F)cccc1Cl
InChIInChI=1S/C16H25ClFN/c1-5-16(6-2,11-19-10-12(3)4)15-13(17)8-7-9-14(15)18/h7-9,12,19H,5-6,10-11H2,1-4H3
InChIKeySMODVFVMKYZUOJ-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.83
LogP ≤ 54.78
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
2-(2-chloro-4-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 63512438
2-(2-chloro-6-fluorophenyl)-N-methyl-2-propylpentan-1-amine
CID 63516841
2-ethyl-N-(2-methylpropyl)-2-phenylbutan-1-amine
CID 62594549
2-(2-chloro-6-fluorophenyl)-N-ethyl-2-methylpropan-1-amine
CID 62596396
N-[(2-chloro-6-fluorophenyl)methyl]-2-methylpropan-1-amine;ethane
CID 142079135
2-(2-chlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine
CID 63515522
3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 83159985
2-(2-chloro-6-fluorophenyl)-2-propylpentan-1-amine
CID 63515341
2-[(3-chloro-4-fluorophenyl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 103041075
1-(2-chloro-3-fluorophenyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol
CID 112654826
2,4-diethyl-N-(2-methylpropyl)-2-phenylhexan-1-amine
CID 82926022

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine (CID 63517002) is 2-(2-chloro-6-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine is CCC(CC)(CNCC(C)C)c1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is SMODVFVMKYZUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClFN/c1-5-16(6-2,11-19-10-12(3)4)15-13(17)8-7-9-14(15)18/h7-9,12,19H,5-6,10-11H2,1-4H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine?
2-(2-chloro-6-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 285.83 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 63517002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).