N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]ethanamine

C14H20BrNO — CID 63045514

IUPACN-[(3-bromo-4-cyclopentyloxyphenyl)methyl]ethanamine
SMILESCCNCc1ccc(OC2CCCC2)c(Br)c1
InChIInChI=1S/C14H20BrNO/c1-2-16-10-11-7-8-14(13(15)9-11)17-12-5-3-4-6-12/h7-9,12,16H,2-6,10H2,1H3
InChIKeyZRERHDGOBLGNGY-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.88
Rot. Bonds5

About N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]ethanamine

N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]ethanamine (PubChem CID 63045514) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-4-cyclopentyloxyphenyl)methyl]ethanamine
PubChem CID63045514
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC NameN-[(3-bromo-4-cyclopentyloxyphenyl)methyl]ethanamine
SMILESCCNCc1ccc(OC2CCCC2)c(Br)c1
InChIInChI=1S/C14H20BrNO/c1-2-16-10-11-7-8-14(13(15)9-11)17-12-5-3-4-6-12/h7-9,12,16H,2-6,10H2,1H3
InChIKeyZRERHDGOBLGNGY-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]propan-1-amine
CID 63045521
N-[(3-bromo-4-cyclohexyloxyphenyl)methyl]propan-1-amine
CID 63501039
N-[[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine
CID 64737947
N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]ethanamine
CID 43278175
N-[(4-cycloheptyloxy-3-fluorophenyl)methyl]ethanamine
CID 107687057
(3-bromo-4-cyclopentyloxyphenyl)methanol
CID 63051302
2-bromo-4-(bromomethyl)-1-cyclohexyloxybenzene
CID 63535060
N-[[3-bromo-4-(4-ethylcyclohexyl)oxyphenyl]methyl]propan-1-amine
CID 64750225
N-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]ethanamine
CID 63045683
N-[[3-bromo-4-(oxan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 55147134
N-[[3-bromo-4-(2,2-difluoroethoxy)phenyl]methyl]ethanamine
CID 63044994
[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]methanol
CID 64747530

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]ethanamine (CID 63045514) is N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]ethanamine is CCNCc1ccc(OC2CCCC2)c(Br)c1.
What is the InChIKey of N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]ethanamine?
The InChIKey is ZRERHDGOBLGNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-2-16-10-11-7-8-14(13(15)9-11)17-12-5-3-4-6-12/h7-9,12,16H,2-6,10H2,1H3.
What are the key properties of N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]ethanamine?
N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]ethanamine has a molecular weight of 298.22 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 63045514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).