N-[3-(2-bromo-5-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine

C18H27BrFN — CID 115926878

IUPACN-[3-(2-bromo-5-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(Cc1cc(F)ccc1Br)C1CCCC1
InChIInChI=1S/C18H27BrFN/c1-13(2)11-21-12-16(14-5-3-4-6-14)9-15-10-17(20)7-8-18(15)19/h7-8,10,13-14,16,21H,3-6,9,11-12H2,1-2H3
InChIKeyUIENIHWKTOECLZ-UHFFFAOYSA-N
MW356.32 g/mol
LogP5.18
Rot. Bonds7

About N-[3-(2-bromo-5-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine

N-[3-(2-bromo-5-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine (PubChem CID 115926878) has the molecular formula C18H27BrFN and a molecular weight of 356.32 g/mol. Its IUPAC name is N-[3-(2-bromo-5-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-(2-bromo-5-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
PubChem CID115926878
Molecular FormulaC18H27BrFN
Molecular Weight356.32 g/mol
Exact Mass355.13
IUPAC NameN-[3-(2-bromo-5-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(Cc1cc(F)ccc1Br)C1CCCC1
InChIInChI=1S/C18H27BrFN/c1-13(2)11-21-12-16(14-5-3-4-6-14)9-15-10-17(20)7-8-18(15)19/h7-8,10,13-14,16,21H,3-6,9,11-12H2,1-2H3
InChIKeyUIENIHWKTOECLZ-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.32
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine
CID 65398871
N-[2-cyclopentyl-3-(3,5-difluorophenyl)propyl]-2-methylpropan-1-amine
CID 105408541
N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 28566155
N-[2-cyclopropyl-3-(4-fluorophenyl)propyl]-2-methylpropan-1-amine
CID 113456650
N-[3-(3-bromophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
CID 82932989
N-[4-(2-bromo-5-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81015086
1-(2-bromo-5-fluorophenyl)-3-cyclobutyl-N-methylpropan-2-amine
CID 103168480
2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 63415205
3-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-methylpropan-1-amine
CID 112569796
N-[3-(2-chloro-4-methylphenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
CID 106869656
N-[(2-cyclopentylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 63813322
N-[2-cyclohexyl-2-(3-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 82932645

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromo-5-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-(2-bromo-5-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine (CID 115926878) is N-[3-(2-bromo-5-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-(2-bromo-5-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-(2-bromo-5-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine is CC(C)CNCC(Cc1cc(F)ccc1Br)C1CCCC1.
What is the InChIKey of N-[3-(2-bromo-5-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine?
The InChIKey is UIENIHWKTOECLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrFN/c1-13(2)11-21-12-16(14-5-3-4-6-14)9-15-10-17(20)7-8-18(15)19/h7-8,10,13-14,16,21H,3-6,9,11-12H2,1-2H3.
What are the key properties of N-[3-(2-bromo-5-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine?
N-[3-(2-bromo-5-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine has a molecular weight of 356.32 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromo-5-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine is sourced from PubChem (CID 115926878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).