1-(2-bromo-5-methoxyphenyl)-3-cyclopropylbutan-2-amine

C14H20BrNO — CID 115862327

IUPAC1-(2-bromo-5-methoxyphenyl)-3-cyclopropylbutan-2-amine
SMILESCOc1ccc(Br)c(CC(N)C(C)C2CC2)c1
InChIInChI=1S/C14H20BrNO/c1-9(10-3-4-10)14(16)8-11-7-12(17-2)5-6-13(11)15/h5-7,9-10,14H,3-4,8,16H2,1-2H3
InChIKeyJLMJAUQXLNRFGA-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.37
Rot. Bonds5

About 1-(2-bromo-5-methoxyphenyl)-3-cyclopropylbutan-2-amine

1-(2-bromo-5-methoxyphenyl)-3-cyclopropylbutan-2-amine (PubChem CID 115862327) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-3-cyclopropylbutan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-3-cyclopropylbutan-2-amine
PubChem CID115862327
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name1-(2-bromo-5-methoxyphenyl)-3-cyclopropylbutan-2-amine
SMILESCOc1ccc(Br)c(CC(N)C(C)C2CC2)c1
InChIInChI=1S/C14H20BrNO/c1-9(10-3-4-10)14(16)8-11-7-12(17-2)5-6-13(11)15/h5-7,9-10,14H,3-4,8,16H2,1-2H3
InChIKeyJLMJAUQXLNRFGA-UHFFFAOYSA-N
XLogP3.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-4-cyclopentylbutan-2-amine
CID 115862330
3-(2-bromo-5-methoxyphenyl)-1,1-diethoxypropan-2-amine
CID 79495380
1-(6-bicyclo[3.1.0]hexanyl)-2-(2-bromo-5-methoxyphenyl)ethanamine
CID 115862194
[2-(2-bromo-5-methoxyphenyl)-1-cyclobutylethyl]hydrazine
CID 105224433
2-(2-bromo-5-methoxyphenyl)-1-(thian-2-yl)ethanamine
CID 80626770
1-bromo-2-(3-chloro-2-methylbutyl)-4-methoxybenzene
CID 65326952
3-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-methylpropan-1-amine
CID 112569796
2-(2-bromo-5-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401737
1-(2-bromo-5-methoxyphenyl)-3-cyclopropylbutan-2-one
CID 114973628
3-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine
CID 116722110
2-(2-bromo-5-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 115862299
4-(2-bromo-5-methoxyphenyl)-3-methylbutan-1-amine
CID 81013376

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-3-cyclopropylbutan-2-amine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-3-cyclopropylbutan-2-amine (CID 115862327) is 1-(2-bromo-5-methoxyphenyl)-3-cyclopropylbutan-2-amine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-3-cyclopropylbutan-2-amine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-3-cyclopropylbutan-2-amine is COc1ccc(Br)c(CC(N)C(C)C2CC2)c1.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-3-cyclopropylbutan-2-amine?
The InChIKey is JLMJAUQXLNRFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-9(10-3-4-10)14(16)8-11-7-12(17-2)5-6-13(11)15/h5-7,9-10,14H,3-4,8,16H2,1-2H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-3-cyclopropylbutan-2-amine?
1-(2-bromo-5-methoxyphenyl)-3-cyclopropylbutan-2-amine has a molecular weight of 298.22 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-3-cyclopropylbutan-2-amine is sourced from PubChem (CID 115862327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).