1-(5-bromo-2-methoxyphenyl)-3-cyclopropyl-N-propylbutan-2-amine

C17H26BrNO — CID 115817611

IUPAC1-(5-bromo-2-methoxyphenyl)-3-cyclopropyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1cc(Br)ccc1OC)C(C)C1CC1
InChIInChI=1S/C17H26BrNO/c1-4-9-19-16(12(2)13-5-6-13)11-14-10-15(18)7-8-17(14)20-3/h7-8,10,12-13,16,19H,4-6,9,11H2,1-3H3
InChIKeyDFSUZRBMNXSUOM-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.41
Rot. Bonds8

About 1-(5-bromo-2-methoxyphenyl)-3-cyclopropyl-N-propylbutan-2-amine

1-(5-bromo-2-methoxyphenyl)-3-cyclopropyl-N-propylbutan-2-amine (PubChem CID 115817611) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-3-cyclopropyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-3-cyclopropyl-N-propylbutan-2-amine
PubChem CID115817611
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name1-(5-bromo-2-methoxyphenyl)-3-cyclopropyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1cc(Br)ccc1OC)C(C)C1CC1
InChIInChI=1S/C17H26BrNO/c1-4-9-19-16(12(2)13-5-6-13)11-14-10-15(18)7-8-17(14)20-3/h7-8,10,12-13,16,19H,4-6,9,11H2,1-3H3
InChIKeyDFSUZRBMNXSUOM-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-3-methylsulfonyl-N-propylbutan-2-amine
CID 115816951
1-(5-bromo-2-methoxyphenyl)-3-methoxy-N-propylhexan-2-amine
CID 116719357
N-[2-(5-bromo-2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine
CID 65333922
2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine
CID 65413976
2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423793
1-(5-bromo-2-methoxyphenyl)-N-ethyl-3,4-dimethylpentan-2-amine
CID 115817634
[2-(5-bromo-2-methoxyphenyl)-1-(4-methylcyclohexyl)ethyl]hydrazine
CID 105210614
1-(5-bromo-2-pyridinyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 105036506
N-[(5-bromo-2-methoxyphenyl)methyl]-1,1-dicyclopropylmethanamine
CID 43088568
1-(5-bromo-2-methoxyphenyl)-3-ethylsulfanyl-N-propylpropan-2-amine
CID 65127733
1-(2-chloro-5-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 102623040
1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-2-amine
CID 55042038

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-cyclopropyl-N-propylbutan-2-amine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-cyclopropyl-N-propylbutan-2-amine (CID 115817611) is 1-(5-bromo-2-methoxyphenyl)-3-cyclopropyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-3-cyclopropyl-N-propylbutan-2-amine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-3-cyclopropyl-N-propylbutan-2-amine is CCCNC(Cc1cc(Br)ccc1OC)C(C)C1CC1.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-3-cyclopropyl-N-propylbutan-2-amine?
The InChIKey is DFSUZRBMNXSUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-4-9-19-16(12(2)13-5-6-13)11-14-10-15(18)7-8-17(14)20-3/h7-8,10,12-13,16,19H,4-6,9,11H2,1-3H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-3-cyclopropyl-N-propylbutan-2-amine?
1-(5-bromo-2-methoxyphenyl)-3-cyclopropyl-N-propylbutan-2-amine has a molecular weight of 340.31 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-3-cyclopropyl-N-propylbutan-2-amine is sourced from PubChem (CID 115817611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).