N-[(2-bromo-5-methoxyphenyl)methyl]-N-butylcyclopropanamine

C15H22BrNO — CID 65327043

IUPACN-[(2-bromo-5-methoxyphenyl)methyl]-N-butylcyclopropanamine
SMILESCCCCN(Cc1cc(OC)ccc1Br)C1CC1
InChIInChI=1S/C15H22BrNO/c1-3-4-9-17(13-5-6-13)11-12-10-14(18-2)7-8-15(12)16/h7-8,10,13H,3-6,9,11H2,1-2H3
InChIKeyUUZZBBKCNJPHDS-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.22
Rot. Bonds7

About N-[(2-bromo-5-methoxyphenyl)methyl]-N-butylcyclopropanamine

N-[(2-bromo-5-methoxyphenyl)methyl]-N-butylcyclopropanamine (PubChem CID 65327043) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-[(2-bromo-5-methoxyphenyl)methyl]-N-butylcyclopropanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-methoxyphenyl)methyl]-N-butylcyclopropanamine
PubChem CID65327043
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-[(2-bromo-5-methoxyphenyl)methyl]-N-butylcyclopropanamine
SMILESCCCCN(Cc1cc(OC)ccc1Br)C1CC1
InChIInChI=1S/C15H22BrNO/c1-3-4-9-17(13-5-6-13)11-12-10-14(18-2)7-8-15(12)16/h7-8,10,13H,3-6,9,11H2,1-2H3
InChIKeyUUZZBBKCNJPHDS-UHFFFAOYSA-N
XLogP4.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[[butyl(cyclopropyl)amino]methyl]-4-methoxyphenyl]boronic acid
CID 65327871
2-[(2-bromo-5-methoxyphenyl)methyl-cyclopentylamino]ethanol
CID 65326761
N-[(2-bromo-5-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79705582
N-[(2-bromo-5-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639732
N-[(2-bromo-5-methoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 65326987
4-[(2-bromo-5-methoxyphenyl)methyl-methylamino]cyclohexan-1-one
CID 79120425
4-[3-[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]propyl]-N,N-diethylcyclohexan-1-amine
CID 23028954
2-[(2-bromo-5-methoxyphenyl)methyl-propylamino]ethanol
CID 65326713
N-[(2-bromo-5-methoxyphenyl)methyl]-N-methylazetidin-3-amine;hydrochloride
CID 120851632
N'-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-N'-propylethane-1,2-diamine
CID 65323211
2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-methoxyphenol
CID 79115140
N-[(2-bromo-5-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
CID 65327435

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-N-butylcyclopropanamine?
The IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-N-butylcyclopropanamine (CID 65327043) is N-[(2-bromo-5-methoxyphenyl)methyl]-N-butylcyclopropanamine.
What is the SMILES notation for N-[(2-bromo-5-methoxyphenyl)methyl]-N-butylcyclopropanamine?
The canonical SMILES for N-[(2-bromo-5-methoxyphenyl)methyl]-N-butylcyclopropanamine is CCCCN(Cc1cc(OC)ccc1Br)C1CC1.
What is the InChIKey of N-[(2-bromo-5-methoxyphenyl)methyl]-N-butylcyclopropanamine?
The InChIKey is UUZZBBKCNJPHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-3-4-9-17(13-5-6-13)11-12-10-14(18-2)7-8-15(12)16/h7-8,10,13H,3-6,9,11H2,1-2H3.
What are the key properties of N-[(2-bromo-5-methoxyphenyl)methyl]-N-butylcyclopropanamine?
N-[(2-bromo-5-methoxyphenyl)methyl]-N-butylcyclopropanamine has a molecular weight of 312.25 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-methoxyphenyl)methyl]-N-butylcyclopropanamine is sourced from PubChem (CID 65327043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).