N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine

C17H25BrN2O — CID 106624874

IUPACN-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
SMILESCOc1ccc(CN(CC2CCCNC2)C2CC2)cc1Br
InChIInChI=1S/C17H25BrN2O/c1-21-17-7-4-13(9-16(17)18)11-20(15-5-6-15)12-14-3-2-8-19-10-14/h4,7,9,14-15,19H,2-3,5-6,8,10-12H2,1H3
InChIKeyGGXUJKAIXDLREF-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.42
Rot. Bonds6

About N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine

N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine (PubChem CID 106624874) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
PubChem CID106624874
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC NameN-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
SMILESCOc1ccc(CN(CC2CCCNC2)C2CC2)cc1Br
InChIInChI=1S/C17H25BrN2O/c1-21-17-7-4-13(9-16(17)18)11-20(15-5-6-15)12-14-3-2-8-19-10-14/h4,7,9,14-15,19H,2-3,5-6,8,10-12H2,1H3
InChIKeyGGXUJKAIXDLREF-UHFFFAOYSA-N
XLogP3.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106625030
N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625257
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride
CID 119929823
N-[(2-bromo-5-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639732
N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621675
1-(3-bromo-4-methoxyphenyl)-3-piperidin-3-ylpropan-2-one
CID 116564329
N-(2-bromoethyl)-N-[(3-bromo-4-methoxyphenyl)methyl]cyclopropanamine
CID 80670003
N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624936
N-benzyl-N-[[(3R)-piperidin-3-yl]methyl]cyclopropanamine
CID 96555707
N-[(3-bromo-4-methoxyphenyl)methyl]-2-piperidin-3-ylethanamine
CID 115211362
N-[(2-bromo-4-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624762
N-[(4-chlorophenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride
CID 119930119

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine (CID 106624874) is N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine is COc1ccc(CN(CC2CCCNC2)C2CC2)cc1Br.
What is the InChIKey of N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
The InChIKey is GGXUJKAIXDLREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c1-21-17-7-4-13(9-16(17)18)11-20(15-5-6-15)12-14-3-2-8-19-10-14/h4,7,9,14-15,19H,2-3,5-6,8,10-12H2,1H3.
What are the key properties of N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine has a molecular weight of 353.30 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 106624874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).