N-[[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methyl]ethanamine

C15H20BrF2N — CID 106271392

IUPACN-[[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methyl]ethanamine
SMILESCCNCC1(Cc2c(F)ccc(Br)c2F)CCCC1
InChIInChI=1S/C15H20BrF2N/c1-2-19-10-15(7-3-4-8-15)9-11-13(17)6-5-12(16)14(11)18/h5-6,19H,2-4,7-10H2,1H3
InChIKeyNPYZSTNYBKXPPD-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.44
Rot. Bonds5

About N-[[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methyl]ethanamine

N-[[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methyl]ethanamine (PubChem CID 106271392) has the molecular formula C15H20BrF2N and a molecular weight of 332.23 g/mol. Its IUPAC name is N-[[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methyl]ethanamine
PubChem CID106271392
Molecular FormulaC15H20BrF2N
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC NameN-[[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methyl]ethanamine
SMILESCCNCC1(Cc2c(F)ccc(Br)c2F)CCCC1
InChIInChI=1S/C15H20BrF2N/c1-2-19-10-15(7-3-4-8-15)9-11-13(17)6-5-12(16)14(11)18/h5-6,19H,2-4,7-10H2,1H3
InChIKeyNPYZSTNYBKXPPD-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methanol
CID 106273685
N-[[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 106271623
N-[[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 106271386
N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclopentyl]methyl]ethanamine
CID 63508188
N-[[1-[(2-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 65194817
1-(3-bromo-2,6-difluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 114165676
1-(3-bromo-2,6-difluorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 114165735
1-[(3-bromo-2,6-difluorophenyl)methyl]cyclobutane-1-carboxylic acid
CID 106264797
N-[[1-[(3,4-difluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 82929520
1-(3-bromo-2,6-difluorophenyl)-N-[[1-(chloromethyl)cyclopropyl]methyl]methanamine
CID 106272393
N-[[1-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]ethanamine
CID 55106547
N-[[1-[(2-bromo-4-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 65194197

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methyl]ethanamine?
The IUPAC name of N-[[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methyl]ethanamine (CID 106271392) is N-[[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methyl]ethanamine is CCNCC1(Cc2c(F)ccc(Br)c2F)CCCC1.
What is the InChIKey of N-[[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methyl]ethanamine?
The InChIKey is NPYZSTNYBKXPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF2N/c1-2-19-10-15(7-3-4-8-15)9-11-13(17)6-5-12(16)14(11)18/h5-6,19H,2-4,7-10H2,1H3.
What are the key properties of N-[[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methyl]ethanamine?
N-[[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methyl]ethanamine has a molecular weight of 332.23 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 106271392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).