N-[2-(4-bromophenyl)-2-methoxyethyl]cyclopropanamine

C12H16BrNO — CID 62106930

IUPACN-[2-(4-bromophenyl)-2-methoxyethyl]cyclopropanamine
SMILESCOC(CNC1CC1)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO/c1-15-12(8-14-11-6-7-11)9-2-4-10(13)5-3-9/h2-5,11-12,14H,6-8H2,1H3
InChIKeyRMSXFLWPAHDFKU-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.89
Rot. Bonds5

About N-[2-(4-bromophenyl)-2-methoxyethyl]cyclopropanamine

N-[2-(4-bromophenyl)-2-methoxyethyl]cyclopropanamine (PubChem CID 62106930) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-2-methoxyethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-2-methoxyethyl]cyclopropanamine
PubChem CID62106930
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC NameN-[2-(4-bromophenyl)-2-methoxyethyl]cyclopropanamine
SMILESCOC(CNC1CC1)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO/c1-15-12(8-14-11-6-7-11)9-2-4-10(13)5-3-9/h2-5,11-12,14H,6-8H2,1H3
InChIKeyRMSXFLWPAHDFKU-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-bromophenyl)-2-cyclopentyloxyethyl]cyclopropanamine
CID 62105937
N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]cyclopropanamine
CID 106204912
N-[2-(4-bromo-2-methylphenoxy)-2-phenylethyl]cyclopropanamine
CID 63497564
N-[2-(4-bromophenyl)-5-methylsulfonylpentyl]cyclopropanamine
CID 79438346
(2R)-2-(4-bromophenyl)-2-methoxyethanol
CID 59315196
2-(4-bromophenyl)-2-methoxyethanol
CID 20785407
N-[2-(4-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine
CID 62108597
N-[2-(4-fluorophenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine
CID 62107517
N-[2-(2,2-difluoroethoxy)-2-(4-methoxyphenyl)ethyl]cyclopropanamine
CID 82005990
N-[2-(4-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine
CID 62105975
N-[2-(4-chlorophenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine
CID 63686545
N-[2-butoxy-2-(4-fluorophenyl)ethyl]cyclopropanamine
CID 62106947

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-2-methoxyethyl]cyclopropanamine?
The IUPAC name of N-[2-(4-bromophenyl)-2-methoxyethyl]cyclopropanamine (CID 62106930) is N-[2-(4-bromophenyl)-2-methoxyethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-bromophenyl)-2-methoxyethyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-bromophenyl)-2-methoxyethyl]cyclopropanamine is COC(CNC1CC1)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)-2-methoxyethyl]cyclopropanamine?
The InChIKey is RMSXFLWPAHDFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-15-12(8-14-11-6-7-11)9-2-4-10(13)5-3-9/h2-5,11-12,14H,6-8H2,1H3.
What are the key properties of N-[2-(4-bromophenyl)-2-methoxyethyl]cyclopropanamine?
N-[2-(4-bromophenyl)-2-methoxyethyl]cyclopropanamine has a molecular weight of 270.17 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-2-methoxyethyl]cyclopropanamine is sourced from PubChem (CID 62106930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).