2-(2-cyclobutyloxy-3-methoxyphenyl)propan-1-amine

C14H21NO2 — CID 117343383

IUPAC2-(2-cyclobutyloxy-3-methoxyphenyl)propan-1-amine
SMILESCOc1cccc(C(C)CN)c1OC1CCC1
InChIInChI=1S/C14H21NO2/c1-10(9-15)12-7-4-8-13(16-2)14(12)17-11-5-3-6-11/h4,7-8,10-11H,3,5-6,9,15H2,1-2H3
InChIKeyTYWYKVWIQLDVHT-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.69
Rot. Bonds5

About 2-(2-cyclobutyloxy-3-methoxyphenyl)propan-1-amine

2-(2-cyclobutyloxy-3-methoxyphenyl)propan-1-amine (PubChem CID 117343383) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(2-cyclobutyloxy-3-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-cyclobutyloxy-3-methoxyphenyl)propan-1-amine
PubChem CID117343383
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(2-cyclobutyloxy-3-methoxyphenyl)propan-1-amine
SMILESCOc1cccc(C(C)CN)c1OC1CCC1
InChIInChI=1S/C14H21NO2/c1-10(9-15)12-7-4-8-13(16-2)14(12)17-11-5-3-6-11/h4,7-8,10-11H,3,5-6,9,15H2,1-2H3
InChIKeyTYWYKVWIQLDVHT-UHFFFAOYSA-N
XLogP2.69
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-cyclobutyloxy-3-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-(2,3-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 3029784
2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine
CID 117343380
2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-1-ol
CID 117420074
2-[3-methoxy-2-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol
CID 117448321
(2-cyclopentyloxy-3-methoxyphenyl)methanamine
CID 43471488
3-[3-methoxy-2-(oxolan-3-yloxy)phenyl]butan-1-amine
CID 117417553
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-amine
CID 117350804
3-[3-methoxy-2-(thian-4-yloxy)phenyl]butanal
CID 117475105
1-bromo-2-cyclobutyloxy-3-methoxybenzene
CID 84709057
2-amino-1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]ethanol
CID 117426819
3-(2-cyclobutyloxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117469192
[1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine
CID 117408015

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutyloxy-3-methoxyphenyl)propan-1-amine?
The IUPAC name of 2-(2-cyclobutyloxy-3-methoxyphenyl)propan-1-amine (CID 117343383) is 2-(2-cyclobutyloxy-3-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(2-cyclobutyloxy-3-methoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(2-cyclobutyloxy-3-methoxyphenyl)propan-1-amine is COc1cccc(C(C)CN)c1OC1CCC1.
What is the InChIKey of 2-(2-cyclobutyloxy-3-methoxyphenyl)propan-1-amine?
The InChIKey is TYWYKVWIQLDVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(9-15)12-7-4-8-13(16-2)14(12)17-11-5-3-6-11/h4,7-8,10-11H,3,5-6,9,15H2,1-2H3.
What are the key properties of 2-(2-cyclobutyloxy-3-methoxyphenyl)propan-1-amine?
2-(2-cyclobutyloxy-3-methoxyphenyl)propan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutyloxy-3-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 117343383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).