(1R)-1-(3-bromophenyl)-N-(2-cyclopentylethyl)ethanamine

C15H22BrN — CID 98487940

IUPAC(1R)-1-(3-bromophenyl)-N-(2-cyclopentylethyl)ethanamine
SMILESC[C@@H](NCCC1CCCC1)c1cccc(Br)c1
InChIInChI=1S/C15H22BrN/c1-12(14-7-4-8-15(16)11-14)17-10-9-13-5-2-3-6-13/h4,7-8,11-13,17H,2-3,5-6,9-10H2,1H3/t12-/m1/s1
InChIKeyAHBLSYDABJCCCK-GFCCVEGCSA-N
MW296.25 g/mol
LogP4.68
Rot. Bonds5

About (1R)-1-(3-bromophenyl)-N-(2-cyclopentylethyl)ethanamine

(1R)-1-(3-bromophenyl)-N-(2-cyclopentylethyl)ethanamine (PubChem CID 98487940) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is (1R)-1-(3-bromophenyl)-N-(2-cyclopentylethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-bromophenyl)-N-(2-cyclopentylethyl)ethanamine
PubChem CID98487940
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name(1R)-1-(3-bromophenyl)-N-(2-cyclopentylethyl)ethanamine
SMILESC[C@@H](NCCC1CCCC1)c1cccc(Br)c1
InChIInChI=1S/C15H22BrN/c1-12(14-7-4-8-15(16)11-14)17-10-9-13-5-2-3-6-13/h4,7-8,11-13,17H,2-3,5-6,9-10H2,1H3/t12-/m1/s1
InChIKeyAHBLSYDABJCCCK-GFCCVEGCSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(4-bromophenyl)-N-(2-cyclohexylethyl)ethanamine
CID 81354090
N-(2-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 63450355
3-[1-(2-cyclopentylethylamino)ethyl]benzonitrile
CID 54931681
N-(2-cyclobutylethyl)-1-phenylethanamine
CID 115688569
(1S)-1-(3-bromophenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81382312
1-(3-bromophenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine
CID 113478752
N-(2-cyclopentylethyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 63450607
(1R)-1-(3-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine
CID 81371851
N-(2-cyclohexylethyl)-1-(2,4-dibromophenyl)ethanamine
CID 63448416
N-[(1R)-1-(3-bromophenyl)ethyl]cyclooctanamine
CID 28555572
N-[1-(3-bromophenyl)ethyl]-3-methylbutan-1-amine
CID 43193038
(1S)-1-(3-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81382309

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromophenyl)-N-(2-cyclopentylethyl)ethanamine?
The IUPAC name of (1R)-1-(3-bromophenyl)-N-(2-cyclopentylethyl)ethanamine (CID 98487940) is (1R)-1-(3-bromophenyl)-N-(2-cyclopentylethyl)ethanamine.
What is the SMILES notation for (1R)-1-(3-bromophenyl)-N-(2-cyclopentylethyl)ethanamine?
The canonical SMILES for (1R)-1-(3-bromophenyl)-N-(2-cyclopentylethyl)ethanamine is C[C@@H](NCCC1CCCC1)c1cccc(Br)c1.
What is the InChIKey of (1R)-1-(3-bromophenyl)-N-(2-cyclopentylethyl)ethanamine?
The InChIKey is AHBLSYDABJCCCK-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22BrN/c1-12(14-7-4-8-15(16)11-14)17-10-9-13-5-2-3-6-13/h4,7-8,11-13,17H,2-3,5-6,9-10H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-(3-bromophenyl)-N-(2-cyclopentylethyl)ethanamine?
(1R)-1-(3-bromophenyl)-N-(2-cyclopentylethyl)ethanamine has a molecular weight of 296.25 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromophenyl)-N-(2-cyclopentylethyl)ethanamine is sourced from PubChem (CID 98487940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).