(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-cyclopentylethanamine

C16H24BrNO — CID 81393845

IUPAC(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-cyclopentylethanamine
SMILESCOc1ccc(C(C)N[C@H](C)C2CCCC2)cc1Br
InChIInChI=1S/C16H24BrNO/c1-11(13-6-4-5-7-13)18-12(2)14-8-9-16(19-3)15(17)10-14/h8-13,18H,4-7H2,1-3H3/t11-,12?/m1/s1
InChIKeyRDKCJUMLFUELHY-JHJMLUEUSA-N
MW326.28 g/mol
LogP4.69
Rot. Bonds5

About (1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-cyclopentylethanamine

(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-cyclopentylethanamine (PubChem CID 81393845) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is (1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-cyclopentylethanamine.

Molecular Properties

Compound Name(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-cyclopentylethanamine
PubChem CID81393845
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-cyclopentylethanamine
SMILESCOc1ccc(C(C)N[C@H](C)C2CCCC2)cc1Br
InChIInChI=1S/C16H24BrNO/c1-11(13-6-4-5-7-13)18-12(2)14-8-9-16(19-3)15(17)10-14/h8-13,18H,4-7H2,1-3H3/t11-,12?/m1/s1
InChIKeyRDKCJUMLFUELHY-JHJMLUEUSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-cycloheptyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine
CID 83059190
[bromo-(3-bromo-4-methoxyphenyl)methyl]cycloheptane
CID 63435662
(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-bromophenyl)ethanamine
CID 81355700
(S)-(3-bromo-4-methoxyphenyl)-cyclohexylmethanamine
CID 29010450
(2R)-2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(cyclohexylcarbamoyl)propanamide
CID 9001543
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-methylcycloheptan-1-amine
CID 65079966
3-bromo-N-(1-cyclohexylethyl)-4-methoxybenzamide
CID 62407763
(1S)-1-cyclobutyl-N-[(1S)-1-(3-methoxy-4-methylsulfonylphenyl)ethyl]ethanamine
CID 97108341
(1R)-1-cyclobutyl-N-[(1R)-1-(3-methoxy-4-methylsulfonylphenyl)ethyl]ethanamine
CID 97108344
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3,3-dimethylbutan-2-amine
CID 104827887
(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81350501
N-[1-(3-bromo-4-methoxyphenyl)ethyl]but-3-yn-2-amine
CID 114415474

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-cyclopentylethanamine?
The IUPAC name of (1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-cyclopentylethanamine (CID 81393845) is (1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-cyclopentylethanamine.
What is the SMILES notation for (1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-cyclopentylethanamine?
The canonical SMILES for (1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-cyclopentylethanamine is COc1ccc(C(C)N[C@H](C)C2CCCC2)cc1Br.
What is the InChIKey of (1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-cyclopentylethanamine?
The InChIKey is RDKCJUMLFUELHY-JHJMLUEUSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-11(13-6-4-5-7-13)18-12(2)14-8-9-16(19-3)15(17)10-14/h8-13,18H,4-7H2,1-3H3/t11-,12?/m1/s1.
What are the key properties of (1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-cyclopentylethanamine?
(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-cyclopentylethanamine has a molecular weight of 326.28 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-cyclopentylethanamine is sourced from PubChem (CID 81393845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).