(1R)-1-(3-bromo-4-cyclopentyloxyphenyl)ethanamine

C13H18BrNO — CID 78937703

IUPAC(1R)-1-(3-bromo-4-cyclopentyloxyphenyl)ethanamine
SMILESC[C@@H](N)c1ccc(OC2CCCC2)c(Br)c1
InChIInChI=1S/C13H18BrNO/c1-9(15)10-6-7-13(12(14)8-10)16-11-4-2-3-5-11/h6-9,11H,2-5,15H2,1H3/t9-/m1/s1
InChIKeyOYFBJRBKPVNASO-SECBINFHSA-N
MW284.20 g/mol
LogP3.79
Rot. Bonds3

About (1R)-1-(3-bromo-4-cyclopentyloxyphenyl)ethanamine

(1R)-1-(3-bromo-4-cyclopentyloxyphenyl)ethanamine (PubChem CID 78937703) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is (1R)-1-(3-bromo-4-cyclopentyloxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-bromo-4-cyclopentyloxyphenyl)ethanamine
PubChem CID78937703
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name(1R)-1-(3-bromo-4-cyclopentyloxyphenyl)ethanamine
SMILESC[C@@H](N)c1ccc(OC2CCCC2)c(Br)c1
InChIInChI=1S/C13H18BrNO/c1-9(15)10-6-7-13(12(14)8-10)16-11-4-2-3-5-11/h6-9,11H,2-5,15H2,1H3/t9-/m1/s1
InChIKeyOYFBJRBKPVNASO-SECBINFHSA-N
XLogP3.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-bromo-4-(3-methylcyclohexyl)oxyphenyl]ethanamine
CID 62911219
1-[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64745370
1-[3-bromo-4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64728805
1-[3-bromo-4-(1-methylazetidin-3-yl)oxyphenyl]ethanamine
CID 117459164
(1R)-1-[3-bromo-4-(oxolan-3-yloxy)phenyl]ethanamine
CID 78945077
(1S)-1-(3-chloro-4-cyclopentyloxyphenyl)ethanamine
CID 78937707
(1R)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethanamine
CID 30119294
N-[1-(3-bromo-4-cyclohexyloxyphenyl)ethyl]propan-1-amine
CID 63533305
1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine;hydrochloride
CID 155346993
(1S)-1-(5-bromo-2-cycloheptyloxyphenyl)ethanamine
CID 82926734
1-(5-bromo-2-cyclohexyloxyphenyl)ethanamine
CID 62369537
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromo-4-cyclopentyloxyphenyl)ethanamine?
The IUPAC name of (1R)-1-(3-bromo-4-cyclopentyloxyphenyl)ethanamine (CID 78937703) is (1R)-1-(3-bromo-4-cyclopentyloxyphenyl)ethanamine.
What is the SMILES notation for (1R)-1-(3-bromo-4-cyclopentyloxyphenyl)ethanamine?
The canonical SMILES for (1R)-1-(3-bromo-4-cyclopentyloxyphenyl)ethanamine is C[C@@H](N)c1ccc(OC2CCCC2)c(Br)c1.
What is the InChIKey of (1R)-1-(3-bromo-4-cyclopentyloxyphenyl)ethanamine?
The InChIKey is OYFBJRBKPVNASO-SECBINFHSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-9(15)10-6-7-13(12(14)8-10)16-11-4-2-3-5-11/h6-9,11H,2-5,15H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-(3-bromo-4-cyclopentyloxyphenyl)ethanamine?
(1R)-1-(3-bromo-4-cyclopentyloxyphenyl)ethanamine has a molecular weight of 284.20 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromo-4-cyclopentyloxyphenyl)ethanamine is sourced from PubChem (CID 78937703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).