1-(2,6-dichloro-3-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]ethanamine

C15H20Cl2FN — CID 55259288

IUPAC1-(2,6-dichloro-3-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]ethanamine
SMILESCC(NCC1(C)CCCC1)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C15H20Cl2FN/c1-10(19-9-15(2)7-3-4-8-15)13-11(16)5-6-12(18)14(13)17/h5-6,10,19H,3-4,7-9H2,1-2H3
InChIKeyKHMREBHGANRGKA-UHFFFAOYSA-N
MW304.24 g/mol
LogP5.36
Rot. Bonds4

About 1-(2,6-dichloro-3-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]ethanamine

1-(2,6-dichloro-3-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]ethanamine (PubChem CID 55259288) has the molecular formula C15H20Cl2FN and a molecular weight of 304.24 g/mol. Its IUPAC name is 1-(2,6-dichloro-3-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,6-dichloro-3-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]ethanamine
PubChem CID55259288
Molecular FormulaC15H20Cl2FN
Molecular Weight304.24 g/mol
Exact Mass303.10
IUPAC Name1-(2,6-dichloro-3-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]ethanamine
SMILESCC(NCC1(C)CCCC1)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C15H20Cl2FN/c1-10(19-9-15(2)7-3-4-8-15)13-11(16)5-6-12(18)14(13)17/h5-6,10,19H,3-4,7-9H2,1-2H3
InChIKeyKHMREBHGANRGKA-UHFFFAOYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.24
LogP ≤ 55.36
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-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]-3-methylcyclohexan-1-ol
CID 65116917
1-(2,5-dichlorophenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 114107336
2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43567768
2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetic acid
CID 43545181
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2,2-diethoxyethanamine
CID 79548563
2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-1-piperidin-1-ylethanone
CID 115709508
3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]pentan-3-ol
CID 65105547
methyl 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetate
CID 43545015
2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-methylacetamide
CID 43545191
N-[(1-methylcyclopentyl)methyl]-1-pyridin-4-ylethanamine
CID 63820570
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]cyclooctanamine
CID 43545045
2-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945746

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-3-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]ethanamine?
The IUPAC name of 1-(2,6-dichloro-3-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]ethanamine (CID 55259288) is 1-(2,6-dichloro-3-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,6-dichloro-3-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]ethanamine?
The canonical SMILES for 1-(2,6-dichloro-3-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]ethanamine is CC(NCC1(C)CCCC1)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 1-(2,6-dichloro-3-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]ethanamine?
The InChIKey is KHMREBHGANRGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2FN/c1-10(19-9-15(2)7-3-4-8-15)13-11(16)5-6-12(18)14(13)17/h5-6,10,19H,3-4,7-9H2,1-2H3.
What are the key properties of 1-(2,6-dichloro-3-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]ethanamine?
1-(2,6-dichloro-3-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]ethanamine has a molecular weight of 304.24 g/mol, XLogP of 5.36, 4 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-[(1-methylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 55259288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).