N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine

C16H23BrFN — CID 82964868

IUPACN-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
SMILESCCC1CCC(NC(C)c2cc(Br)ccc2F)C1C
InChIInChI=1S/C16H23BrFN/c1-4-12-5-8-16(10(12)2)19-11(3)14-9-13(17)6-7-15(14)18/h6-7,9-12,16,19H,4-5,8H2,1-3H3
InChIKeyBOKVYOPFVULHFD-UHFFFAOYSA-N
MW328.27 g/mol
LogP5.06
Rot. Bonds4

About N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine

N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine (PubChem CID 82964868) has the molecular formula C16H23BrFN and a molecular weight of 328.27 g/mol. Its IUPAC name is N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
PubChem CID82964868
Molecular FormulaC16H23BrFN
Molecular Weight328.27 g/mol
Exact Mass327.10
IUPAC NameN-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
SMILESCCC1CCC(NC(C)c2cc(Br)ccc2F)C1C
InChIInChI=1S/C16H23BrFN/c1-4-12-5-8-16(10(12)2)19-11(3)14-9-13(17)6-7-15(14)18/h6-7,9-12,16,19H,4-5,8H2,1-3H3
InChIKeyBOKVYOPFVULHFD-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.27
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2,4-dibromophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 64920776
3-ethyl-N-[1-(2-fluorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 64923126
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-methyloxolan-3-amine
CID 82962821
4-bromo-2-[1-[(3-ethyl-2-methylcyclopentyl)amino]propyl]phenol
CID 64920939
N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylcyclohexan-1-amine
CID 82961576
N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 64922129
N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 64921325
N-[1-(2,5-difluorophenyl)ethyl]-2-ethylcyclohexan-1-amine
CID 43709409
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 64920557
3-[1-(5-bromo-2-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 82974002
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 107850032
3-ethyl-2-methyl-N-propan-2-ylcyclopentan-1-amine
CID 64921128

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine?
The IUPAC name of N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine (CID 82964868) is N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine?
The canonical SMILES for N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine is CCC1CCC(NC(C)c2cc(Br)ccc2F)C1C.
What is the InChIKey of N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine?
The InChIKey is BOKVYOPFVULHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFN/c1-4-12-5-8-16(10(12)2)19-11(3)14-9-13(17)6-7-15(14)18/h6-7,9-12,16,19H,4-5,8H2,1-3H3.
What are the key properties of N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine?
N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine has a molecular weight of 328.27 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine is sourced from PubChem (CID 82964868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).