3-(5-bromo-2-cyclopropyloxyphenyl)propan-1-amine

C12H16BrNO — CID 117428416

IUPAC3-(5-bromo-2-cyclopropyloxyphenyl)propan-1-amine
SMILESNCCCc1cc(Br)ccc1OC1CC1
InChIInChI=1S/C12H16BrNO/c13-10-3-6-12(15-11-4-5-11)9(8-10)2-1-7-14/h3,6,8,11H,1-2,4-5,7,14H2
InChIKeyFNJHEYNPJMTWFE-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.88
Rot. Bonds5

About 3-(5-bromo-2-cyclopropyloxyphenyl)propan-1-amine

3-(5-bromo-2-cyclopropyloxyphenyl)propan-1-amine (PubChem CID 117428416) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 3-(5-bromo-2-cyclopropyloxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-2-cyclopropyloxyphenyl)propan-1-amine
PubChem CID117428416
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name3-(5-bromo-2-cyclopropyloxyphenyl)propan-1-amine
SMILESNCCCc1cc(Br)ccc1OC1CC1
InChIInChI=1S/C12H16BrNO/c13-10-3-6-12(15-11-4-5-11)9(8-10)2-1-7-14/h3,6,8,11H,1-2,4-5,7,14H2
InChIKeyFNJHEYNPJMTWFE-UHFFFAOYSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-cyclopropyloxy-5-fluorophenyl)propan-1-amine
CID 117298784
(5-bromo-2-cyclopentyloxyphenyl)methanamine
CID 43125696
3-(2-cyclopropyloxyphenyl)propan-1-amine
CID 117282623
4-(5-chloro-2-cyclobutyloxyphenyl)butan-1-amine
CID 117387894
3-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)propan-1-amine
CID 117483705
4-(5-bromo-2-ethoxyphenyl)butan-1-amine
CID 65305852
2-[5-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine
CID 60906211
3-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine
CID 117499889
6-(2,5-dibromophenyl)hexan-1-amine
CID 65301155
5-(2,5-dibromophenyl)pentan-1-amine
CID 65301153
(3R)-3-(4-bromo-2-propylphenoxy)pyrrolidine
CID 86322012
3-(5-bromo-2-cyclopropyloxyphenyl)-2-methylpropanoic acid
CID 117481881

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-cyclopropyloxyphenyl)propan-1-amine?
The IUPAC name of 3-(5-bromo-2-cyclopropyloxyphenyl)propan-1-amine (CID 117428416) is 3-(5-bromo-2-cyclopropyloxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(5-bromo-2-cyclopropyloxyphenyl)propan-1-amine?
The canonical SMILES for 3-(5-bromo-2-cyclopropyloxyphenyl)propan-1-amine is NCCCc1cc(Br)ccc1OC1CC1.
What is the InChIKey of 3-(5-bromo-2-cyclopropyloxyphenyl)propan-1-amine?
The InChIKey is FNJHEYNPJMTWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c13-10-3-6-12(15-11-4-5-11)9(8-10)2-1-7-14/h3,6,8,11H,1-2,4-5,7,14H2.
What are the key properties of 3-(5-bromo-2-cyclopropyloxyphenyl)propan-1-amine?
3-(5-bromo-2-cyclopropyloxyphenyl)propan-1-amine has a molecular weight of 270.17 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-cyclopropyloxyphenyl)propan-1-amine is sourced from PubChem (CID 117428416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).