N-[[1-[2-(4-bromophenoxy)ethyl]cyclopropyl]methyl]propan-2-amine

C15H22BrNO — CID 66026893

IUPACN-[[1-[2-(4-bromophenoxy)ethyl]cyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CCOc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H22BrNO/c1-12(2)17-11-15(7-8-15)9-10-18-14-5-3-13(16)4-6-14/h3-6,12,17H,7-11H2,1-2H3
InChIKeyCMXCLOZETDKZQU-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.00
Rot. Bonds7

About N-[[1-[2-(4-bromophenoxy)ethyl]cyclopropyl]methyl]propan-2-amine

N-[[1-[2-(4-bromophenoxy)ethyl]cyclopropyl]methyl]propan-2-amine (PubChem CID 66026893) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-[[1-[2-(4-bromophenoxy)ethyl]cyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[2-(4-bromophenoxy)ethyl]cyclopropyl]methyl]propan-2-amine
PubChem CID66026893
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-[[1-[2-(4-bromophenoxy)ethyl]cyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CCOc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H22BrNO/c1-12(2)17-11-15(7-8-15)9-10-18-14-5-3-13(16)4-6-14/h3-6,12,17H,7-11H2,1-2H3
InChIKeyCMXCLOZETDKZQU-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-phenoxyethyl)cyclopropyl]methyl]propan-2-amine
CID 66025781
N-[[1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 63507679
N-[[1-[(4-bromophenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194612
[1-[2-(4-bromophenoxy)ethyl]-4-propan-2-ylcyclohexyl]methanamine
CID 65423148
[1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methanamine
CID 55107164
N-[[3-[2-(3-bromophenoxy)ethyl]oxolan-3-yl]methyl]propan-2-amine
CID 62718677
N-[[3-[2-(4-bromophenoxy)ethyl]oxolan-3-yl]methyl]ethanamine
CID 62719737
N-[[1-[(2-bromo-5-methoxyphenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66026670
[1-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexyl]methanamine
CID 65393492
N-[[1-(4-bromophenyl)cyclohexyl]methyl]propan-2-amine
CID 55196888
[1-[[2-(4-bromophenoxy)ethylamino]methyl]cyclopropyl]methanol
CID 113313278
2-(4-bromophenoxy)-N-[[1-(chloromethyl)cyclopropyl]methyl]ethanamine
CID 115455603

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-bromophenoxy)ethyl]cyclopropyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[2-(4-bromophenoxy)ethyl]cyclopropyl]methyl]propan-2-amine (CID 66026893) is N-[[1-[2-(4-bromophenoxy)ethyl]cyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[2-(4-bromophenoxy)ethyl]cyclopropyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[2-(4-bromophenoxy)ethyl]cyclopropyl]methyl]propan-2-amine is CC(C)NCC1(CCOc2ccc(Br)cc2)CC1.
What is the InChIKey of N-[[1-[2-(4-bromophenoxy)ethyl]cyclopropyl]methyl]propan-2-amine?
The InChIKey is CMXCLOZETDKZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-12(2)17-11-15(7-8-15)9-10-18-14-5-3-13(16)4-6-14/h3-6,12,17H,7-11H2,1-2H3.
What are the key properties of N-[[1-[2-(4-bromophenoxy)ethyl]cyclopropyl]methyl]propan-2-amine?
N-[[1-[2-(4-bromophenoxy)ethyl]cyclopropyl]methyl]propan-2-amine has a molecular weight of 312.25 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-bromophenoxy)ethyl]cyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 66026893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).