N-[5-(3-bromo-4-ethoxyphenyl)-3-methylpentyl]cyclopropanamine

C17H26BrNO — CID 104662912

IUPACN-[5-(3-bromo-4-ethoxyphenyl)-3-methylpentyl]cyclopropanamine
SMILESCCOc1ccc(CCC(C)CCNC2CC2)cc1Br
InChIInChI=1S/C17H26BrNO/c1-3-20-17-9-6-14(12-16(17)18)5-4-13(2)10-11-19-15-7-8-15/h6,9,12-13,15,19H,3-5,7-8,10-11H2,1-2H3
InChIKeyCMOADVYBTVMMRC-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.56
Rot. Bonds9

About N-[5-(3-bromo-4-ethoxyphenyl)-3-methylpentyl]cyclopropanamine

N-[5-(3-bromo-4-ethoxyphenyl)-3-methylpentyl]cyclopropanamine (PubChem CID 104662912) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[5-(3-bromo-4-ethoxyphenyl)-3-methylpentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[5-(3-bromo-4-ethoxyphenyl)-3-methylpentyl]cyclopropanamine
PubChem CID104662912
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC NameN-[5-(3-bromo-4-ethoxyphenyl)-3-methylpentyl]cyclopropanamine
SMILESCCOc1ccc(CCC(C)CCNC2CC2)cc1Br
InChIInChI=1S/C17H26BrNO/c1-3-20-17-9-6-14(12-16(17)18)5-4-13(2)10-11-19-15-7-8-15/h6,9,12-13,15,19H,3-5,7-8,10-11H2,1-2H3
InChIKeyCMOADVYBTVMMRC-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-(3-bromo-4-ethoxyphenyl)pentyl]cyclopropanamine
CID 104662908
5-(3-bromo-4-ethoxyphenyl)-N-tert-butyl-3-methylpentan-1-amine
CID 104662928
N-[2-[2-(3-bromo-4-ethoxyphenyl)ethoxy]ethyl]cyclopropanamine
CID 104662902
N-[5-(2-ethoxy-5-methylphenyl)-3-methylpentyl]cyclopropanamine
CID 65303656
N-[[3-bromo-4-(4-methylpentoxy)phenyl]methyl]cyclopropanamine
CID 83155824
5-(3,4-diethoxyphenyl)-N,3-dimethylpentan-1-amine
CID 65304908
N-[(3-bromo-4-propoxyphenyl)methyl]cyclopropanamine
CID 29222762
N-[5-(2,5-dibromo-4-methylphenyl)-3-methylpentyl]cyclopropanamine
CID 81470336
N-[5-(3,4-diethoxyphenyl)pentyl]cyclopropanamine
CID 65300915
5-(3-bromo-4-methoxyphenyl)-N-tert-butyl-3-methylpentan-1-amine
CID 65304156
1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine
CID 17157575
5-(3-bromo-4-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 104662891

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-bromo-4-ethoxyphenyl)-3-methylpentyl]cyclopropanamine?
The IUPAC name of N-[5-(3-bromo-4-ethoxyphenyl)-3-methylpentyl]cyclopropanamine (CID 104662912) is N-[5-(3-bromo-4-ethoxyphenyl)-3-methylpentyl]cyclopropanamine.
What is the SMILES notation for N-[5-(3-bromo-4-ethoxyphenyl)-3-methylpentyl]cyclopropanamine?
The canonical SMILES for N-[5-(3-bromo-4-ethoxyphenyl)-3-methylpentyl]cyclopropanamine is CCOc1ccc(CCC(C)CCNC2CC2)cc1Br.
What is the InChIKey of N-[5-(3-bromo-4-ethoxyphenyl)-3-methylpentyl]cyclopropanamine?
The InChIKey is CMOADVYBTVMMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-3-20-17-9-6-14(12-16(17)18)5-4-13(2)10-11-19-15-7-8-15/h6,9,12-13,15,19H,3-5,7-8,10-11H2,1-2H3.
What are the key properties of N-[5-(3-bromo-4-ethoxyphenyl)-3-methylpentyl]cyclopropanamine?
N-[5-(3-bromo-4-ethoxyphenyl)-3-methylpentyl]cyclopropanamine has a molecular weight of 340.31 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-bromo-4-ethoxyphenyl)-3-methylpentyl]cyclopropanamine is sourced from PubChem (CID 104662912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).