2-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine

C14H20BrNO2 — CID 117499903

IUPAC2-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine
SMILESCOc1cc(Br)c(C(C)CN)cc1OC1CCC1
InChIInChI=1S/C14H20BrNO2/c1-9(8-16)11-6-14(18-10-4-3-5-10)13(17-2)7-12(11)15/h6-7,9-10H,3-5,8,16H2,1-2H3
InChIKeyZTPXBJLTZAFDOM-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.45
Rot. Bonds5

About 2-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine

2-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine (PubChem CID 117499903) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine
PubChem CID117499903
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name2-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine
SMILESCOc1cc(Br)c(C(C)CN)cc1OC1CCC1
InChIInChI=1S/C14H20BrNO2/c1-9(8-16)11-6-14(18-10-4-3-5-10)13(17-2)7-12(11)15/h6-7,9-10H,3-5,8,16H2,1-2H3
InChIKeyZTPXBJLTZAFDOM-UHFFFAOYSA-N
XLogP3.45
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-bromo-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-amine
CID 117499898
(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)methanamine
CID 117460840
3-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine
CID 117499889
2-(5-bromo-2-methoxy-4-propan-2-ylphenyl)propan-1-amine
CID 117461435
N-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl]propan-2-amine
CID 976640
2-(2-cyclobutyloxy-3-methoxyphenyl)propan-1-amine
CID 117343383
2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-amine
CID 117483716
(1R,2S)-2-amino-2-(2-bromo-4,5-dimethoxyphenyl)-1-cyclobutylethanol;hydrochloride
CID 171266633
2-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol
CID 117458641
1-(2-bromo-4,5-dimethoxyphenyl)-N-methylethane-1,2-diamine
CID 62065826
2-bromo-5-cyclobutyloxy-4-methoxybenzonitrile
CID 117453047
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-amine
CID 117350804

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine?
The IUPAC name of 2-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine (CID 117499903) is 2-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine is COc1cc(Br)c(C(C)CN)cc1OC1CCC1.
What is the InChIKey of 2-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine?
The InChIKey is ZTPXBJLTZAFDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-9(8-16)11-6-14(18-10-4-3-5-10)13(17-2)7-12(11)15/h6-7,9-10H,3-5,8,16H2,1-2H3.
What are the key properties of 2-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine?
2-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine has a molecular weight of 314.22 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 117499903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).