2-(3-bromophenyl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine

C16H24BrNO — CID 104611298

IUPAC2-(3-bromophenyl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine
SMILESCCNC(Cc1cccc(Br)c1)C1(OC)CCCC1
InChIInChI=1S/C16H24BrNO/c1-3-18-15(16(19-2)9-4-5-10-16)12-13-7-6-8-14(17)11-13/h6-8,11,15,18H,3-5,9-10,12H2,1-2H3
InChIKeyMMLBKNTUTWVQMV-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.93
Rot. Bonds6

About 2-(3-bromophenyl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine

2-(3-bromophenyl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine (PubChem CID 104611298) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine
PubChem CID104611298
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name2-(3-bromophenyl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine
SMILESCCNC(Cc1cccc(Br)c1)C1(OC)CCCC1
InChIInChI=1S/C16H24BrNO/c1-3-18-15(16(19-2)9-4-5-10-16)12-13-7-6-8-14(17)11-13/h6-8,11,15,18H,3-5,9-10,12H2,1-2H3
InChIKeyMMLBKNTUTWVQMV-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-bromophenyl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714808
2-(3-bromophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770088
2-(3-chlorophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
CID 116714621
N-[2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)ethyl]propan-1-amine
CID 116765144
2-(3-bromophenyl)-1-(1-methoxycyclohexyl)ethanol
CID 116753460
2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764666
N-ethyl-1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethanamine
CID 116765029
N-[2-(3-chlorophenyl)-1-(1-methoxycyclohexyl)ethyl]propan-1-amine
CID 116763420
2-(3-chlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
CID 116765000
2-(2,6-difluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 114932716
2-(2-bromophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
CID 116714652
[2-(3-bromophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethyl]hydrazine
CID 105277532

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine (CID 104611298) is 2-(3-bromophenyl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine is CCNC(Cc1cccc(Br)c1)C1(OC)CCCC1.
What is the InChIKey of 2-(3-bromophenyl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine?
The InChIKey is MMLBKNTUTWVQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-3-18-15(16(19-2)9-4-5-10-16)12-13-7-6-8-14(17)11-13/h6-8,11,15,18H,3-5,9-10,12H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine?
2-(3-bromophenyl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine has a molecular weight of 326.28 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine is sourced from PubChem (CID 104611298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).