N-[4-(5-bromo-2-methoxyphenyl)-3-methylbutyl]cyclopropanamine

C15H22BrNO — CID 81018729

IUPACN-[4-(5-bromo-2-methoxyphenyl)-3-methylbutyl]cyclopropanamine
SMILESCOc1ccc(Br)cc1CC(C)CCNC1CC1
InChIInChI=1S/C15H22BrNO/c1-11(7-8-17-14-4-5-14)9-12-10-13(16)3-6-15(12)18-2/h3,6,10-11,14,17H,4-5,7-9H2,1-2H3
InChIKeyUWNFZMORXPPHOA-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.78
Rot. Bonds7

About N-[4-(5-bromo-2-methoxyphenyl)-3-methylbutyl]cyclopropanamine

N-[4-(5-bromo-2-methoxyphenyl)-3-methylbutyl]cyclopropanamine (PubChem CID 81018729) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-[4-(5-bromo-2-methoxyphenyl)-3-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(5-bromo-2-methoxyphenyl)-3-methylbutyl]cyclopropanamine
PubChem CID81018729
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-[4-(5-bromo-2-methoxyphenyl)-3-methylbutyl]cyclopropanamine
SMILESCOc1ccc(Br)cc1CC(C)CCNC1CC1
InChIInChI=1S/C15H22BrNO/c1-11(7-8-17-14-4-5-14)9-12-10-13(16)3-6-15(12)18-2/h3,6,10-11,14,17H,4-5,7-9H2,1-2H3
InChIKeyUWNFZMORXPPHOA-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-bromo-2-methoxyphenyl)-3-methylbutan-1-amine
CID 81013850
N-[4-(3-fluoro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 81020121
N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 115207139
4-bromo-2-(3-chloro-2-methylpropyl)-1-methoxybenzene
CID 66033395
3-(5-bromo-2-methoxyphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62530686
N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine
CID 792004
[2-(5-bromo-2-methoxyphenyl)-1-cyclobutylethyl]hydrazine
CID 105224453
2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423793
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
1-(5-bromo-2-methoxyphenyl)-4-cyclopentylbutan-2-ol
CID 115779341
1-(5-bromo-2-methoxyphenyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 115817611
4-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926328

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-bromo-2-methoxyphenyl)-3-methylbutyl]cyclopropanamine?
The IUPAC name of N-[4-(5-bromo-2-methoxyphenyl)-3-methylbutyl]cyclopropanamine (CID 81018729) is N-[4-(5-bromo-2-methoxyphenyl)-3-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[4-(5-bromo-2-methoxyphenyl)-3-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[4-(5-bromo-2-methoxyphenyl)-3-methylbutyl]cyclopropanamine is COc1ccc(Br)cc1CC(C)CCNC1CC1.
What is the InChIKey of N-[4-(5-bromo-2-methoxyphenyl)-3-methylbutyl]cyclopropanamine?
The InChIKey is UWNFZMORXPPHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-11(7-8-17-14-4-5-14)9-12-10-13(16)3-6-15(12)18-2/h3,6,10-11,14,17H,4-5,7-9H2,1-2H3.
What are the key properties of N-[4-(5-bromo-2-methoxyphenyl)-3-methylbutyl]cyclopropanamine?
N-[4-(5-bromo-2-methoxyphenyl)-3-methylbutyl]cyclopropanamine has a molecular weight of 312.25 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-bromo-2-methoxyphenyl)-3-methylbutyl]cyclopropanamine is sourced from PubChem (CID 81018729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).