N-[1-(4-bromo-2-methoxyphenyl)-2-cyclobutylethyl]propan-1-amine

C16H24BrNO — CID 115863765

IUPACN-[1-(4-bromo-2-methoxyphenyl)-2-cyclobutylethyl]propan-1-amine
SMILESCCCNC(CC1CCC1)c1ccc(Br)cc1OC
InChIInChI=1S/C16H24BrNO/c1-3-9-18-15(10-12-5-4-6-12)14-8-7-13(17)11-16(14)19-2/h7-8,11-12,15,18H,3-6,9-10H2,1-2H3
InChIKeyUZYFVTIHZRZDJY-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.69
Rot. Bonds7

About N-[1-(4-bromo-2-methoxyphenyl)-2-cyclobutylethyl]propan-1-amine

N-[1-(4-bromo-2-methoxyphenyl)-2-cyclobutylethyl]propan-1-amine (PubChem CID 115863765) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[1-(4-bromo-2-methoxyphenyl)-2-cyclobutylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromo-2-methoxyphenyl)-2-cyclobutylethyl]propan-1-amine
PubChem CID115863765
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC NameN-[1-(4-bromo-2-methoxyphenyl)-2-cyclobutylethyl]propan-1-amine
SMILESCCCNC(CC1CCC1)c1ccc(Br)cc1OC
InChIInChI=1S/C16H24BrNO/c1-3-9-18-15(10-12-5-4-6-12)14-8-7-13(17)11-16(14)19-2/h7-8,11-12,15,18H,3-6,9-10H2,1-2H3
InChIKeyUZYFVTIHZRZDJY-UHFFFAOYSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]propan-1-amine
CID 104986510
N-[2-cyclobutyl-1-(2,4-dimethoxyphenyl)ethyl]propan-1-amine
CID 115863794
1-(4-bromo-2-methoxyphenyl)-2-cyclopentyl-N-methylethanamine
CID 115847250
[1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]hydrazine
CID 105311172
N-[2-cyclopropyl-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107945969
N-[1-(5-bromo-2-fluorophenyl)-2-cyclohexylethyl]propan-1-amine
CID 114895057
N-[1-(2-bromo-4-fluorophenyl)-2-cyclobutylethyl]propan-1-amine
CID 115863366
N-[(5-bromo-2-methoxyphenyl)-cyclobutylmethyl]propan-1-amine
CID 43493938
N-[2-cyclobutyl-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine
CID 103435492
N-[2-cyclobutyl-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine
CID 103168829
N-[1-[4-bromo-2-(cyclobutylmethoxy)phenyl]ethyl]propan-1-amine
CID 102947868
1-(4-bromo-2-methoxyphenyl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 115848547

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-2-methoxyphenyl)-2-cyclobutylethyl]propan-1-amine?
The IUPAC name of N-[1-(4-bromo-2-methoxyphenyl)-2-cyclobutylethyl]propan-1-amine (CID 115863765) is N-[1-(4-bromo-2-methoxyphenyl)-2-cyclobutylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-bromo-2-methoxyphenyl)-2-cyclobutylethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-bromo-2-methoxyphenyl)-2-cyclobutylethyl]propan-1-amine is CCCNC(CC1CCC1)c1ccc(Br)cc1OC.
What is the InChIKey of N-[1-(4-bromo-2-methoxyphenyl)-2-cyclobutylethyl]propan-1-amine?
The InChIKey is UZYFVTIHZRZDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-3-9-18-15(10-12-5-4-6-12)14-8-7-13(17)11-16(14)19-2/h7-8,11-12,15,18H,3-6,9-10H2,1-2H3.
What are the key properties of N-[1-(4-bromo-2-methoxyphenyl)-2-cyclobutylethyl]propan-1-amine?
N-[1-(4-bromo-2-methoxyphenyl)-2-cyclobutylethyl]propan-1-amine has a molecular weight of 326.28 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-2-methoxyphenyl)-2-cyclobutylethyl]propan-1-amine is sourced from PubChem (CID 115863765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).