3-cyclobutyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine

C16H25NO — CID 112515939

IUPAC3-cyclobutyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine
SMILESCCOc1ccc(C(CCN)C2CCC2)cc1C
InChIInChI=1S/C16H25NO/c1-3-18-16-8-7-14(11-12(16)2)15(9-10-17)13-5-4-6-13/h7-8,11,13,15H,3-6,9-10,17H2,1-2H3
InChIKeyKDQQSAFVRABFIW-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.63
Rot. Bonds6

About 3-cyclobutyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine

3-cyclobutyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine (PubChem CID 112515939) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-cyclobutyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-cyclobutyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine
PubChem CID112515939
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-cyclobutyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine
SMILESCCOc1ccc(C(CCN)C2CCC2)cc1C
InChIInChI=1S/C16H25NO/c1-3-18-16-8-7-14(11-12(16)2)15(9-10-17)13-5-4-6-13/h7-8,11,13,15H,3-6,9-10,17H2,1-2H3
InChIKeyKDQQSAFVRABFIW-UHFFFAOYSA-N
XLogP3.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine
CID 112512208
1-(4-ethoxy-3-methylphenyl)propane-1,3-diamine
CID 116932779
2-cyclobutyl-2-(4-methoxy-3-methylphenyl)ethanamine
CID 82024046
2-cyclopentyl-2-(3,4-diethoxyphenyl)ethanamine
CID 83973829
3-cyclopentyl-3-(3-ethyl-4-methoxyphenyl)propan-1-amine
CID 112516911
1-(4-ethoxy-3-methylphenyl)butane-1,4-diamine
CID 116933717
3-cyclopentyl-3-(4-methylphenyl)propan-1-amine
CID 82079151
(4-ethoxy-3-methylphenyl)-methoxymethanamine
CID 116947277
N'-cyclopropyl-1-(4-ethoxy-3-methylphenyl)ethane-1,2-diamine
CID 116935183
1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
3-(4-ethoxyphenyl)-3-(oxan-4-yl)propan-1-amine
CID 112517181
2-cyclohexyl-2-(2-ethoxy-5-methylphenyl)ethanamine
CID 83974493

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine?
The IUPAC name of 3-cyclobutyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine (CID 112515939) is 3-cyclobutyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-cyclobutyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine?
The canonical SMILES for 3-cyclobutyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine is CCOc1ccc(C(CCN)C2CCC2)cc1C.
What is the InChIKey of 3-cyclobutyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine?
The InChIKey is KDQQSAFVRABFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-18-16-8-7-14(11-12(16)2)15(9-10-17)13-5-4-6-13/h7-8,11,13,15H,3-6,9-10,17H2,1-2H3.
What are the key properties of 3-cyclobutyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine?
3-cyclobutyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine is sourced from PubChem (CID 112515939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).