[1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methanamine

C14H20BrNO — CID 55107164

IUPAC[1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methanamine
SMILESNCC1(CCOc2ccc(Br)cc2)CCCC1
InChIInChI=1S/C14H20BrNO/c15-12-3-5-13(6-4-12)17-10-9-14(11-16)7-1-2-8-14/h3-6H,1-2,7-11,16H2
InChIKeyAGKCYNSPAAUWGF-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.74
Rot. Bonds5

About [1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methanamine

[1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methanamine (PubChem CID 55107164) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is [1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methanamine
PubChem CID55107164
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name[1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methanamine
SMILESNCC1(CCOc2ccc(Br)cc2)CCCC1
InChIInChI=1S/C14H20BrNO/c15-12-3-5-13(6-4-12)17-10-9-14(11-16)7-1-2-8-14/h3-6H,1-2,7-11,16H2
InChIKeyAGKCYNSPAAUWGF-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexyl]methanamine
CID 65393492
[1-[2-(4-bromophenoxy)ethyl]-4-propan-2-ylcyclohexyl]methanamine
CID 65423148
N-[[1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 63507679
4-[2-[1-(aminomethyl)cyclopropyl]ethoxy]phenol
CID 84779704
N-[[1-[2-(4-bromophenoxy)ethyl]cyclopropyl]methyl]propan-2-amine
CID 66026893
[3-[2-(4-bromophenoxy)ethyl]-2-methyloxolan-3-yl]methanamine
CID 114533972
[1-[2-(4-bromophenoxy)ethyl]-2,3-dihydroinden-1-yl]methanamine
CID 65407520
1-[(4-bromophenoxy)methyl]cyclohexan-1-amine
CID 84715279
[1-(3-phenoxypropyl)cyclopropyl]methanamine
CID 66026187
[1-[(2-bromophenoxy)methyl]cyclopentyl]methanamine
CID 82134815
[1-[(4-methoxyphenoxy)methyl]cyclopentyl]methanamine
CID 94686563
3-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 115362467

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methanamine?
The IUPAC name of [1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methanamine (CID 55107164) is [1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methanamine?
The canonical SMILES for [1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methanamine is NCC1(CCOc2ccc(Br)cc2)CCCC1.
What is the InChIKey of [1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methanamine?
The InChIKey is AGKCYNSPAAUWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c15-12-3-5-13(6-4-12)17-10-9-14(11-16)7-1-2-8-14/h3-6H,1-2,7-11,16H2.
What are the key properties of [1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methanamine?
[1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methanamine has a molecular weight of 298.22 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methanamine is sourced from PubChem (CID 55107164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).