1-(3-bromo-2-cyclopentyloxyphenyl)propan-2-amine

C14H20BrNO — CID 61391929

IUPAC1-(3-bromo-2-cyclopentyloxyphenyl)propan-2-amine
SMILESCC(N)Cc1cccc(Br)c1OC1CCCC1
InChIInChI=1S/C14H20BrNO/c1-10(16)9-11-5-4-8-13(15)14(11)17-12-6-2-3-7-12/h4-5,8,10,12H,2-3,6-7,9,16H2,1H3
InChIKeyXTPDSKKQCSNRNE-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.66
Rot. Bonds4

About 1-(3-bromo-2-cyclopentyloxyphenyl)propan-2-amine

1-(3-bromo-2-cyclopentyloxyphenyl)propan-2-amine (PubChem CID 61391929) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 1-(3-bromo-2-cyclopentyloxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-2-cyclopentyloxyphenyl)propan-2-amine
PubChem CID61391929
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name1-(3-bromo-2-cyclopentyloxyphenyl)propan-2-amine
SMILESCC(N)Cc1cccc(Br)c1OC1CCCC1
InChIInChI=1S/C14H20BrNO/c1-10(16)9-11-5-4-8-13(15)14(11)17-12-6-2-3-7-12/h4-5,8,10,12H,2-3,6-7,9,16H2,1H3
InChIKeyXTPDSKKQCSNRNE-UHFFFAOYSA-N
XLogP3.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclopentyloxy-3-ethoxyphenyl)propan-2-amine
CID 54929333
2-(3-bromo-2-cyclohexyloxyphenyl)ethanamine
CID 61391935
1-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine
CID 117486565
1-[3-bromo-2-(oxan-2-ylmethoxy)phenyl]propan-2-amine
CID 61392575
1-(2-bromo-5-cycloheptyloxyphenyl)propan-2-amine
CID 82930684
N-[(3-bromo-2-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82926270
1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine
CID 115958688
1-(3-bromo-2-octoxyphenyl)propan-2-amine
CID 63421974
1-[3-bromo-2-(2-ethylcyclohexyl)oxyphenyl]butan-2-amine
CID 63862926
1-[3-bromo-2-(oxolan-3-ylmethoxy)phenyl]propan-2-amine
CID 54977250
1-[2-(4-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine
CID 115958578
2-[2-(2-aminopropyl)-6-bromophenoxy]acetonitrile
CID 61392513

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-cyclopentyloxyphenyl)propan-2-amine?
The IUPAC name of 1-(3-bromo-2-cyclopentyloxyphenyl)propan-2-amine (CID 61391929) is 1-(3-bromo-2-cyclopentyloxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-bromo-2-cyclopentyloxyphenyl)propan-2-amine?
The canonical SMILES for 1-(3-bromo-2-cyclopentyloxyphenyl)propan-2-amine is CC(N)Cc1cccc(Br)c1OC1CCCC1.
What is the InChIKey of 1-(3-bromo-2-cyclopentyloxyphenyl)propan-2-amine?
The InChIKey is XTPDSKKQCSNRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-10(16)9-11-5-4-8-13(15)14(11)17-12-6-2-3-7-12/h4-5,8,10,12H,2-3,6-7,9,16H2,1H3.
What are the key properties of 1-(3-bromo-2-cyclopentyloxyphenyl)propan-2-amine?
1-(3-bromo-2-cyclopentyloxyphenyl)propan-2-amine has a molecular weight of 298.22 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-cyclopentyloxyphenyl)propan-2-amine is sourced from PubChem (CID 61391929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).