1-[5-bromo-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine

C16H24BrNO — CID 63500340

IUPAC1-[5-bromo-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(Br)ccc1OCC1CCCC1
InChIInChI=1S/C16H24BrNO/c1-3-18-12(2)15-10-14(17)8-9-16(15)19-11-13-6-4-5-7-13/h8-10,12-13,18H,3-7,11H2,1-2H3
InChIKeyVVXAPSIRPJFJEJ-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.69
Rot. Bonds6

About 1-[5-bromo-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine

1-[5-bromo-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine (PubChem CID 63500340) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-[5-bromo-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine
PubChem CID63500340
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name1-[5-bromo-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(Br)ccc1OCC1CCCC1
InChIInChI=1S/C16H24BrNO/c1-3-18-12(2)15-10-14(17)8-9-16(15)19-11-13-6-4-5-7-13/h8-10,12-13,18H,3-7,11H2,1-2H3
InChIKeyVVXAPSIRPJFJEJ-UHFFFAOYSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

1-[4-bromo-2-(cyclobutylmethoxy)phenyl]-N-ethylethanamine
CID 102947699
1-[2-(cyclopentylmethoxy)-5-methylphenyl]-N-ethylethanamine
CID 61344981
1-[5-chloro-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine
CID 63499775
N-[1-[5-bromo-2-(oxan-4-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 62386930
N-[1-[4-bromo-2-(cyclobutylmethoxy)phenyl]ethyl]propan-1-amine
CID 102947868
1-[5-bromo-2-(4-methylpentoxy)phenyl]-N-ethylethanamine
CID 82976012
1-[5-bromo-2-(cyclobutylmethoxy)phenyl]-2-(methylamino)ethanol
CID 117499840
1-[4-bromo-2-(cyclopentylmethoxy)phenyl]ethanol
CID 102948328
1-[4-bromo-2-(cyclopentylmethylsulfanyl)phenyl]-N-ethylethanamine
CID 82970000
1-[5-bromo-2-(oxan-3-yloxy)phenyl]-N-ethylethanamine
CID 107134357
3-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]azepan-2-one
CID 62393069
4-bromo-1-(cyclopropylmethoxy)-2-(difluoromethyl)benzene
CID 165416562

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[5-bromo-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine (CID 63500340) is 1-[5-bromo-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-bromo-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[5-bromo-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine is CCNC(C)c1cc(Br)ccc1OCC1CCCC1.
What is the InChIKey of 1-[5-bromo-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine?
The InChIKey is VVXAPSIRPJFJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-3-18-12(2)15-10-14(17)8-9-16(15)19-11-13-6-4-5-7-13/h8-10,12-13,18H,3-7,11H2,1-2H3.
What are the key properties of 1-[5-bromo-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine?
1-[5-bromo-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine has a molecular weight of 326.28 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine is sourced from PubChem (CID 63500340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).