N-[(4-bromo-3-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine

C15H21BrFN — CID 81437054

IUPACN-[(4-bromo-3-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
SMILESCCC1CCC(NCc2ccc(Br)c(F)c2)C1C
InChIInChI=1S/C15H21BrFN/c1-3-12-5-7-15(10(12)2)18-9-11-4-6-13(16)14(17)8-11/h4,6,8,10,12,15,18H,3,5,7,9H2,1-2H3
InChIKeyHUMITEVQOBGPSM-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.50
Rot. Bonds4

About N-[(4-bromo-3-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine

N-[(4-bromo-3-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine (PubChem CID 81437054) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is N-[(4-bromo-3-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
PubChem CID81437054
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC NameN-[(4-bromo-3-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
SMILESCCC1CCC(NCc2ccc(Br)c(F)c2)C1C
InChIInChI=1S/C15H21BrFN/c1-3-12-5-7-15(10(12)2)18-9-11-4-6-13(16)14(17)8-11/h4,6,8,10,12,15,18H,3,5,7,9H2,1-2H3
InChIKeyHUMITEVQOBGPSM-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromo-5-chlorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 66159387
N-[(3-bromo-5-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 79709823
3-ethyl-2-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine
CID 64921530
N-benzyl-3-ethyl-2-methylcyclopentan-1-amine
CID 64920559
N-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 114452932
N-[(4-bromo-3-fluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine
CID 114121487
N,N-diethyl-4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]aniline
CID 64921729
N-[(4-bromo-3-fluorophenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103773733
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-ethyl-2-methylcyclopentan-1-amine
CID 64922539
3-ethyl-2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]cyclopentan-1-amine
CID 64922905
3-ethyl-2-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclopentan-1-amine
CID 64922906
N-[(3-bromo-4-fluorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 62397492

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine?
The IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine (CID 81437054) is N-[(4-bromo-3-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-[(4-bromo-3-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine?
The canonical SMILES for N-[(4-bromo-3-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine is CCC1CCC(NCc2ccc(Br)c(F)c2)C1C.
What is the InChIKey of N-[(4-bromo-3-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine?
The InChIKey is HUMITEVQOBGPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-3-12-5-7-15(10(12)2)18-9-11-4-6-13(16)14(17)8-11/h4,6,8,10,12,15,18H,3,5,7,9H2,1-2H3.
What are the key properties of N-[(4-bromo-3-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine?
N-[(4-bromo-3-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine has a molecular weight of 314.24 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine is sourced from PubChem (CID 81437054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).