[3-[2-(4-bromophenoxy)ethyl]-2-methyloxolan-3-yl]methanamine

C14H20BrNO2 — CID 114533972

IUPAC[3-[2-(4-bromophenoxy)ethyl]-2-methyloxolan-3-yl]methanamine
SMILESCC1OCCC1(CN)CCOc1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO2/c1-11-14(10-16,6-8-17-11)7-9-18-13-4-2-12(15)3-5-13/h2-5,11H,6-10,16H2,1H3
InChIKeyXQQVPGWEBIVGQI-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.97
Rot. Bonds5

About [3-[2-(4-bromophenoxy)ethyl]-2-methyloxolan-3-yl]methanamine

[3-[2-(4-bromophenoxy)ethyl]-2-methyloxolan-3-yl]methanamine (PubChem CID 114533972) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is [3-[2-(4-bromophenoxy)ethyl]-2-methyloxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[2-(4-bromophenoxy)ethyl]-2-methyloxolan-3-yl]methanamine
PubChem CID114533972
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name[3-[2-(4-bromophenoxy)ethyl]-2-methyloxolan-3-yl]methanamine
SMILESCC1OCCC1(CN)CCOc1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO2/c1-11-14(10-16,6-8-17-11)7-9-18-13-4-2-12(15)3-5-13/h2-5,11H,6-10,16H2,1H3
InChIKeyXQQVPGWEBIVGQI-UHFFFAOYSA-N
XLogP2.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methanamine
CID 55107164
(3-ethyl-2-methyloxolan-3-yl)methanamine
CID 114533945
[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methanamine
CID 103412747
[1-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexyl]methanamine
CID 65393492
[1-[2-(4-bromophenoxy)ethyl]-4-propan-2-ylcyclohexyl]methanamine
CID 65423148
[3-[(4-bromo-2-chlorophenyl)methyl]-2-methyloxolan-3-yl]methanamine
CID 114534026
3-(bromomethyl)-2-cyclopropyl-3-[2-(4-methoxyphenoxy)ethyl]oxolane
CID 104510710
[1-[2-(4-bromophenoxy)ethyl]-2,3-dihydroinden-1-yl]methanamine
CID 65407520
[3-[(2-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methanamine
CID 114533952
2-(4-bromophenoxy)ethyl 2-methylcyclopropane-1-carboxylate
CID 55314844
[3-(furan-3-ylmethyl)-2-methyloxolan-3-yl]methanamine
CID 114534069
N-[[1-[2-(4-bromophenoxy)ethyl]cyclopropyl]methyl]propan-2-amine
CID 66026893

Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-bromophenoxy)ethyl]-2-methyloxolan-3-yl]methanamine?
The IUPAC name of [3-[2-(4-bromophenoxy)ethyl]-2-methyloxolan-3-yl]methanamine (CID 114533972) is [3-[2-(4-bromophenoxy)ethyl]-2-methyloxolan-3-yl]methanamine.
What is the SMILES notation for [3-[2-(4-bromophenoxy)ethyl]-2-methyloxolan-3-yl]methanamine?
The canonical SMILES for [3-[2-(4-bromophenoxy)ethyl]-2-methyloxolan-3-yl]methanamine is CC1OCCC1(CN)CCOc1ccc(Br)cc1.
What is the InChIKey of [3-[2-(4-bromophenoxy)ethyl]-2-methyloxolan-3-yl]methanamine?
The InChIKey is XQQVPGWEBIVGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-11-14(10-16,6-8-17-11)7-9-18-13-4-2-12(15)3-5-13/h2-5,11H,6-10,16H2,1H3.
What are the key properties of [3-[2-(4-bromophenoxy)ethyl]-2-methyloxolan-3-yl]methanamine?
[3-[2-(4-bromophenoxy)ethyl]-2-methyloxolan-3-yl]methanamine has a molecular weight of 314.22 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-bromophenoxy)ethyl]-2-methyloxolan-3-yl]methanamine is sourced from PubChem (CID 114533972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).