N-[3-(2-bromo-5-methoxyphenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine

C17H24BrNO — CID 83159794

IUPACN-[3-(2-bromo-5-methoxyphenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
SMILESCOc1ccc(Br)c(CC(C)(CNC2CC2)C2CC2)c1
InChIInChI=1S/C17H24BrNO/c1-17(13-3-4-13,11-19-14-5-6-14)10-12-9-15(20-2)7-8-16(12)18/h7-9,13-14,19H,3-6,10-11H2,1-2H3
InChIKeyJWGYIQORFUOFQR-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.17
Rot. Bonds7

About N-[3-(2-bromo-5-methoxyphenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine

N-[3-(2-bromo-5-methoxyphenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine (PubChem CID 83159794) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is N-[3-(2-bromo-5-methoxyphenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(2-bromo-5-methoxyphenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
PubChem CID83159794
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC NameN-[3-(2-bromo-5-methoxyphenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
SMILESCOc1ccc(Br)c(CC(C)(CNC2CC2)C2CC2)c1
InChIInChI=1S/C17H24BrNO/c1-17(13-3-4-13,11-19-14-5-6-14)10-12-9-15(20-2)7-8-16(12)18/h7-9,13-14,19H,3-6,10-11H2,1-2H3
InChIKeyJWGYIQORFUOFQR-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromo-5-methoxyphenyl)-2-cyclopropyl-N-ethyl-2-methylpropan-1-amine
CID 83149504
N-[2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbut-3-enyl]cyclopropanamine
CID 102641215
N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine
CID 43163816
N-[3-(3-bromo-2,6-difluorophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
CID 106271813
N-[3-(4-bromophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
CID 83160159
N-[(2-bromo-5-methoxyphenyl)methyl]-N'-cyclopropylpropane-1,3-diamine
CID 113410367
3-(2-bromo-5-methoxyphenyl)-2,2-dimethylpropanenitrile
CID 65379304
N-[4-(2,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine
CID 65308482
[2-(2-bromo-5-methoxyphenyl)-1-cyclobutylethyl]hydrazine
CID 105224433
N-[[3-[(2-bromo-5-methoxyphenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 65326682
N-[[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66404154
2-[(2-bromo-5-methoxyphenyl)methyl]-N,2-dimethylbut-3-en-1-amine
CID 102640559

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromo-5-methoxyphenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine?
The IUPAC name of N-[3-(2-bromo-5-methoxyphenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine (CID 83159794) is N-[3-(2-bromo-5-methoxyphenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-(2-bromo-5-methoxyphenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-(2-bromo-5-methoxyphenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine is COc1ccc(Br)c(CC(C)(CNC2CC2)C2CC2)c1.
What is the InChIKey of N-[3-(2-bromo-5-methoxyphenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine?
The InChIKey is JWGYIQORFUOFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-17(13-3-4-13,11-19-14-5-6-14)10-12-9-15(20-2)7-8-16(12)18/h7-9,13-14,19H,3-6,10-11H2,1-2H3.
What are the key properties of N-[3-(2-bromo-5-methoxyphenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine?
N-[3-(2-bromo-5-methoxyphenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine has a molecular weight of 338.29 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromo-5-methoxyphenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine is sourced from PubChem (CID 83159794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).