3-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine

C14H20BrNO2 — CID 117499889

IUPAC3-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine
SMILESCOc1cc(Br)c(CCCN)cc1OC1CCC1
InChIInChI=1S/C14H20BrNO2/c1-17-13-9-12(15)10(4-3-7-16)8-14(13)18-11-5-2-6-11/h8-9,11H,2-7,16H2,1H3
InChIKeyDGEQDAOENVQVKJ-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.28
Rot. Bonds6

About 3-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine

3-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine (PubChem CID 117499889) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 3-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine
PubChem CID117499889
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name3-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine
SMILESCOc1cc(Br)c(CCCN)cc1OC1CCC1
InChIInChI=1S/C14H20BrNO2/c1-17-13-9-12(15)10(4-3-7-16)8-14(13)18-11-5-2-6-11/h8-9,11H,2-7,16H2,1H3
InChIKeyDGEQDAOENVQVKJ-UHFFFAOYSA-N
XLogP3.28
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)methanamine
CID 117460840
4-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)butan-1-amine
CID 117479607
2-(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)acetonitrile
CID 117494859
N-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl]propan-2-amine
CID 976640
2-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine
CID 117499903
3-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)propan-1-amine
CID 117483705
2-bromo-5-cyclobutyloxy-4-methoxybenzonitrile
CID 117453047
2-(2-bromo-4-ethoxy-5-methoxyphenyl)ethanamine
CID 170868746
5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentan-1-amine
CID 65301088
N'-[(2-bromo-4,5-dimethoxyphenyl)methyl]propane-1,3-diamine
CID 60888177
2-cyclopentyloxy-4,5-dimethoxyaniline
CID 83008231
3-(2-cyclopropyloxy-5-fluorophenyl)propan-1-amine
CID 117298784

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine?
The IUPAC name of 3-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine (CID 117499889) is 3-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine is COc1cc(Br)c(CCCN)cc1OC1CCC1.
What is the InChIKey of 3-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine?
The InChIKey is DGEQDAOENVQVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-17-13-9-12(15)10(4-3-7-16)8-14(13)18-11-5-2-6-11/h8-9,11H,2-7,16H2,1H3.
What are the key properties of 3-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine?
3-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine has a molecular weight of 314.22 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 117499889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).