N-(2-bromoethyl)-N-[(3-bromo-5-fluorophenyl)methyl]cyclopentanamine

C14H18Br2FN — CID 80673045

IUPACN-(2-bromoethyl)-N-[(3-bromo-5-fluorophenyl)methyl]cyclopentanamine
SMILESFc1cc(Br)cc(CN(CCBr)C2CCCC2)c1
InChIInChI=1S/C14H18Br2FN/c15-5-6-18(14-3-1-2-4-14)10-11-7-12(16)9-13(17)8-11/h7-9,14H,1-6,10H2
InChIKeyFVMHVVPZNAIAEX-UHFFFAOYSA-N
MW379.11 g/mol
LogP4.73
Rot. Bonds5

About N-(2-bromoethyl)-N-[(3-bromo-5-fluorophenyl)methyl]cyclopentanamine

N-(2-bromoethyl)-N-[(3-bromo-5-fluorophenyl)methyl]cyclopentanamine (PubChem CID 80673045) has the molecular formula C14H18Br2FN and a molecular weight of 379.11 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-[(3-bromo-5-fluorophenyl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-[(3-bromo-5-fluorophenyl)methyl]cyclopentanamine
PubChem CID80673045
Molecular FormulaC14H18Br2FN
Molecular Weight379.11 g/mol
Exact Mass376.98
IUPAC NameN-(2-bromoethyl)-N-[(3-bromo-5-fluorophenyl)methyl]cyclopentanamine
SMILESFc1cc(Br)cc(CN(CCBr)C2CCCC2)c1
InChIInChI=1S/C14H18Br2FN/c15-5-6-18(14-3-1-2-4-14)10-11-7-12(16)9-13(17)8-11/h7-9,14H,1-6,10H2
InChIKeyFVMHVVPZNAIAEX-UHFFFAOYSA-N
XLogP4.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.11
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-[(3-fluorophenyl)methyl]cyclobutanamine
CID 102860788
N-(2-bromoethyl)-N-[(3-bromo-4-fluorophenyl)methyl]cyclohexanamine
CID 80674032
N-(2-bromoethyl)-N-[(3,5-dimethylphenyl)methyl]cyclohexanamine
CID 80673272
N-(2-bromoethyl)-N-[(5-bromo-2-fluorophenyl)methyl]cyclopentanamine
CID 80672620
2-[cyclobutyl-[(3,5-difluorophenyl)methyl]amino]ethanol
CID 102676798
N-(2-bromoethyl)-N-[(2,5-difluorophenyl)methyl]cyclopentanamine
CID 80672624
N-(2-bromoethyl)-N-[(2-chloro-5-fluorophenyl)methyl]cyclohexanamine
CID 102620191
3-bromo-N-(2-bromoethyl)-N-cyclopentyl-5-fluorobenzamide
CID 80658999
N-(2-bromoethyl)-N-[(4-ethylphenyl)methyl]cyclohexanamine
CID 80674380
N-(2-bromoethyl)-N-[(5-fluoro-2-methylphenyl)methyl]cyclobutanamine
CID 102860764
N-(2-bromoethyl)-N-(pyridin-4-ylmethyl)cyclobutanamine
CID 102861074
N-(2-bromoethyl)-N-[(2-chloro-4-fluorophenyl)methyl]cyclobutanamine
CID 102860916

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-[(3-bromo-5-fluorophenyl)methyl]cyclopentanamine?
The IUPAC name of N-(2-bromoethyl)-N-[(3-bromo-5-fluorophenyl)methyl]cyclopentanamine (CID 80673045) is N-(2-bromoethyl)-N-[(3-bromo-5-fluorophenyl)methyl]cyclopentanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-[(3-bromo-5-fluorophenyl)methyl]cyclopentanamine?
The canonical SMILES for N-(2-bromoethyl)-N-[(3-bromo-5-fluorophenyl)methyl]cyclopentanamine is Fc1cc(Br)cc(CN(CCBr)C2CCCC2)c1.
What is the InChIKey of N-(2-bromoethyl)-N-[(3-bromo-5-fluorophenyl)methyl]cyclopentanamine?
The InChIKey is FVMHVVPZNAIAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2FN/c15-5-6-18(14-3-1-2-4-14)10-11-7-12(16)9-13(17)8-11/h7-9,14H,1-6,10H2.
What are the key properties of N-(2-bromoethyl)-N-[(3-bromo-5-fluorophenyl)methyl]cyclopentanamine?
N-(2-bromoethyl)-N-[(3-bromo-5-fluorophenyl)methyl]cyclopentanamine has a molecular weight of 379.11 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-[(3-bromo-5-fluorophenyl)methyl]cyclopentanamine is sourced from PubChem (CID 80673045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).