N-(2-bromoethyl)-N-[(2,5-difluorophenyl)methyl]cyclopentanamine

C14H18BrF2N — CID 80672624

IUPACN-(2-bromoethyl)-N-[(2,5-difluorophenyl)methyl]cyclopentanamine
SMILESFc1ccc(F)c(CN(CCBr)C2CCCC2)c1
InChIInChI=1S/C14H18BrF2N/c15-7-8-18(13-3-1-2-4-13)10-11-9-12(16)5-6-14(11)17/h5-6,9,13H,1-4,7-8,10H2
InChIKeyAVKPIGRYGORKBE-UHFFFAOYSA-N
MW318.20 g/mol
LogP4.10
Rot. Bonds5

About N-(2-bromoethyl)-N-[(2,5-difluorophenyl)methyl]cyclopentanamine

N-(2-bromoethyl)-N-[(2,5-difluorophenyl)methyl]cyclopentanamine (PubChem CID 80672624) has the molecular formula C14H18BrF2N and a molecular weight of 318.20 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-[(2,5-difluorophenyl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-[(2,5-difluorophenyl)methyl]cyclopentanamine
PubChem CID80672624
Molecular FormulaC14H18BrF2N
Molecular Weight318.20 g/mol
Exact Mass317.06
IUPAC NameN-(2-bromoethyl)-N-[(2,5-difluorophenyl)methyl]cyclopentanamine
SMILESFc1ccc(F)c(CN(CCBr)C2CCCC2)c1
InChIInChI=1S/C14H18BrF2N/c15-7-8-18(13-3-1-2-4-13)10-11-9-12(16)5-6-14(11)17/h5-6,9,13H,1-4,7-8,10H2
InChIKeyAVKPIGRYGORKBE-UHFFFAOYSA-N
XLogP4.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 54.10
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-[(2-chloro-5-fluorophenyl)methyl]cyclohexanamine
CID 102620191
N-(2-bromoethyl)-N-[(5-bromo-2-fluorophenyl)methyl]cyclopentanamine
CID 80672620
N-(2-bromoethyl)-N-[(5-fluoro-2-methylphenyl)methyl]cyclobutanamine
CID 102860764
N-(2-bromoethyl)-N-[(2-chloro-4-fluorophenyl)methyl]cyclobutanamine
CID 102860916
N-(2-bromoethyl)-N-[(5-chloro-2-fluorophenyl)methyl]cyclopropanamine
CID 103050016
N-(3-bromopropyl)-N-[(5-chloro-2-fluorophenyl)methyl]cyclobutanamine
CID 103050093
N-(2-bromoethyl)-N-[(3-fluorophenyl)methyl]cyclobutanamine
CID 102860788
N-(2-bromoethyl)-N-[(3-bromo-4-fluorophenyl)methyl]cyclohexanamine
CID 80674032
N-(3-bromopropyl)-N-[(2-chloro-4-fluorophenyl)methyl]cyclobutanamine
CID 102860157
N-[(2,5-difluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopentanamine;hydrochloride
CID 119932338
2-[cyclopentyl-[(2,5-difluorophenyl)methyl]amino]-N'-hydroxyethanimidamide
CID 78995782
N-(2-bromoethyl)-N-[(2,6-difluorophenyl)methyl]cyclobutanamine
CID 102860832

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-[(2,5-difluorophenyl)methyl]cyclopentanamine?
The IUPAC name of N-(2-bromoethyl)-N-[(2,5-difluorophenyl)methyl]cyclopentanamine (CID 80672624) is N-(2-bromoethyl)-N-[(2,5-difluorophenyl)methyl]cyclopentanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-[(2,5-difluorophenyl)methyl]cyclopentanamine?
The canonical SMILES for N-(2-bromoethyl)-N-[(2,5-difluorophenyl)methyl]cyclopentanamine is Fc1ccc(F)c(CN(CCBr)C2CCCC2)c1.
What is the InChIKey of N-(2-bromoethyl)-N-[(2,5-difluorophenyl)methyl]cyclopentanamine?
The InChIKey is AVKPIGRYGORKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF2N/c15-7-8-18(13-3-1-2-4-13)10-11-9-12(16)5-6-14(11)17/h5-6,9,13H,1-4,7-8,10H2.
What are the key properties of N-(2-bromoethyl)-N-[(2,5-difluorophenyl)methyl]cyclopentanamine?
N-(2-bromoethyl)-N-[(2,5-difluorophenyl)methyl]cyclopentanamine has a molecular weight of 318.20 g/mol, XLogP of 4.10, 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-[(2,5-difluorophenyl)methyl]cyclopentanamine is sourced from PubChem (CID 80672624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).