3-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-3-methylcyclopentan-1-amine

C15H20BrF2N — CID 106273067

IUPAC3-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-3-methylcyclopentan-1-amine
SMILESCCNC1CCC(C)(Cc2c(F)ccc(Br)c2F)C1
InChIInChI=1S/C15H20BrF2N/c1-3-19-10-6-7-15(2,8-10)9-11-13(17)5-4-12(16)14(11)18/h4-5,10,19H,3,6-9H2,1-2H3
InChIKeyQZVKUOUDTYDISB-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.44
Rot. Bonds4

About 3-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-3-methylcyclopentan-1-amine

3-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-3-methylcyclopentan-1-amine (PubChem CID 106273067) has the molecular formula C15H20BrF2N and a molecular weight of 332.23 g/mol. Its IUPAC name is 3-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-3-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-3-methylcyclopentan-1-amine
PubChem CID106273067
Molecular FormulaC15H20BrF2N
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC Name3-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-3-methylcyclopentan-1-amine
SMILESCCNC1CCC(C)(Cc2c(F)ccc(Br)c2F)C1
InChIInChI=1S/C15H20BrF2N/c1-3-19-10-6-7-15(2,8-10)9-11-13(17)5-4-12(16)14(11)18/h4-5,10,19H,3,6-9H2,1-2H3
InChIKeyQZVKUOUDTYDISB-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.44
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

3-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylazetidine
CID 106273157
N-[[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 106271386
N-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-amine
CID 105375560
3-[(2-bromo-3-fluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine
CID 116539811
N-ethyl-3-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine
CID 116539278
N-[[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 106271623
N-[[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methyl]ethanamine
CID 106271392
1-(3-bromo-2,6-difluorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 114165735
1-(3-bromo-2,6-difluorophenyl)-4-(propylamino)cyclohexan-1-ol
CID 106943803
1-[(3-bromo-2,6-difluorophenyl)methyl]-4-tert-butylcyclohexan-1-amine
CID 106265793
3-[(2,4-difluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine
CID 116539573
3-[(3,4-difluorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine
CID 116539016

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-3-methylcyclopentan-1-amine?
The IUPAC name of 3-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-3-methylcyclopentan-1-amine (CID 106273067) is 3-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-3-methylcyclopentan-1-amine.
What is the SMILES notation for 3-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-3-methylcyclopentan-1-amine?
The canonical SMILES for 3-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-3-methylcyclopentan-1-amine is CCNC1CCC(C)(Cc2c(F)ccc(Br)c2F)C1.
What is the InChIKey of 3-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-3-methylcyclopentan-1-amine?
The InChIKey is QZVKUOUDTYDISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF2N/c1-3-19-10-6-7-15(2,8-10)9-11-13(17)5-4-12(16)14(11)18/h4-5,10,19H,3,6-9H2,1-2H3.
What are the key properties of 3-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-3-methylcyclopentan-1-amine?
3-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-3-methylcyclopentan-1-amine has a molecular weight of 332.23 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-3-methylcyclopentan-1-amine is sourced from PubChem (CID 106273067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).