1-(2,6-dichloro-3-fluorophenyl)-N-(dicyclopropylmethyl)ethanamine

C15H18Cl2FN — CID 43545128

IUPAC1-(2,6-dichloro-3-fluorophenyl)-N-(dicyclopropylmethyl)ethanamine
SMILESCC(NC(C1CC1)C1CC1)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C15H18Cl2FN/c1-8(13-11(16)6-7-12(18)14(13)17)19-15(9-2-3-9)10-4-5-10/h6-10,15,19H,2-5H2,1H3
InChIKeySJOLFQQKGNHKBV-UHFFFAOYSA-N
MW302.22 g/mol
LogP4.97
Rot. Bonds5

About 1-(2,6-dichloro-3-fluorophenyl)-N-(dicyclopropylmethyl)ethanamine

1-(2,6-dichloro-3-fluorophenyl)-N-(dicyclopropylmethyl)ethanamine (PubChem CID 43545128) has the molecular formula C15H18Cl2FN and a molecular weight of 302.22 g/mol. Its IUPAC name is 1-(2,6-dichloro-3-fluorophenyl)-N-(dicyclopropylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2,6-dichloro-3-fluorophenyl)-N-(dicyclopropylmethyl)ethanamine
PubChem CID43545128
Molecular FormulaC15H18Cl2FN
Molecular Weight302.22 g/mol
Exact Mass301.08
IUPAC Name1-(2,6-dichloro-3-fluorophenyl)-N-(dicyclopropylmethyl)ethanamine
SMILESCC(NC(C1CC1)C1CC1)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C15H18Cl2FN/c1-8(13-11(16)6-7-12(18)14(13)17)19-15(9-2-3-9)10-4-5-10/h6-10,15,19H,2-5H2,1H3
InChIKeySJOLFQQKGNHKBV-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]propan-2-amine
CID 63989941
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]cyclooctanamine
CID 43545045
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]but-3-yn-2-amine
CID 114415090
2-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945746
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 43545096
2-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 63454265
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-methylsulfinylpropan-2-amine
CID 113424478
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-phenylpropan-1-amine
CID 63478494
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43545077
3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol
CID 103271297
1-(2,6-dichloro-3-fluorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 54932036
3,5-dichloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]aniline
CID 43545046

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-3-fluorophenyl)-N-(dicyclopropylmethyl)ethanamine?
The IUPAC name of 1-(2,6-dichloro-3-fluorophenyl)-N-(dicyclopropylmethyl)ethanamine (CID 43545128) is 1-(2,6-dichloro-3-fluorophenyl)-N-(dicyclopropylmethyl)ethanamine.
What is the SMILES notation for 1-(2,6-dichloro-3-fluorophenyl)-N-(dicyclopropylmethyl)ethanamine?
The canonical SMILES for 1-(2,6-dichloro-3-fluorophenyl)-N-(dicyclopropylmethyl)ethanamine is CC(NC(C1CC1)C1CC1)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 1-(2,6-dichloro-3-fluorophenyl)-N-(dicyclopropylmethyl)ethanamine?
The InChIKey is SJOLFQQKGNHKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2FN/c1-8(13-11(16)6-7-12(18)14(13)17)19-15(9-2-3-9)10-4-5-10/h6-10,15,19H,2-5H2,1H3.
What are the key properties of 1-(2,6-dichloro-3-fluorophenyl)-N-(dicyclopropylmethyl)ethanamine?
1-(2,6-dichloro-3-fluorophenyl)-N-(dicyclopropylmethyl)ethanamine has a molecular weight of 302.22 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-3-fluorophenyl)-N-(dicyclopropylmethyl)ethanamine is sourced from PubChem (CID 43545128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).