3-(3-ethoxyphenyl)-2-methylcyclobutan-1-amine

C13H19NO — CID 81415517

IUPAC3-(3-ethoxyphenyl)-2-methylcyclobutan-1-amine
SMILESCCOc1cccc(C2CC(N)C2C)c1
InChIInChI=1S/C13H19NO/c1-3-15-11-6-4-5-10(7-11)12-8-13(14)9(12)2/h4-7,9,12-13H,3,8,14H2,1-2H3
InChIKeyRSDNCSIWORHJEF-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.54
Rot. Bonds3

About 3-(3-ethoxyphenyl)-2-methylcyclobutan-1-amine

3-(3-ethoxyphenyl)-2-methylcyclobutan-1-amine (PubChem CID 81415517) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(3-ethoxyphenyl)-2-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-ethoxyphenyl)-2-methylcyclobutan-1-amine
PubChem CID81415517
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-(3-ethoxyphenyl)-2-methylcyclobutan-1-amine
SMILESCCOc1cccc(C2CC(N)C2C)c1
InChIInChI=1S/C13H19NO/c1-3-15-11-6-4-5-10(7-11)12-8-13(14)9(12)2/h4-7,9,12-13H,3,8,14H2,1-2H3
InChIKeyRSDNCSIWORHJEF-UHFFFAOYSA-N
XLogP2.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-ethoxyphenyl)cyclopropan-1-amine;hydrochloride
CID 71758190
(3S,4S)-4-(3-ethoxyphenyl)pyrrolidin-3-amine
CID 129493439
(3R,4S)-4-(3-ethoxyphenyl)-1-methylpyrrolidin-3-amine
CID 99986785
4-(3-ethoxyphenyl)pyrrolidin-3-amine
CID 121199808
3-(3-ethoxyphenyl)-2-methylcyclobutan-1-one
CID 81414960
(1R,2R,3S)-2-methyl-3-phenylcyclobutan-1-amine
CID 98233070
2-(3-ethoxyphenyl)oxan-3-amine
CID 79365505
N-[[2-(3-ethoxyphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81032583
3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-ol
CID 81415009
N-[[2-(3-ethoxyphenyl)cyclopentyl]methyl]propan-1-amine
CID 81034647
N-[[2-(3-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81027960
N-[[2-(3-ethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 81023463

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenyl)-2-methylcyclobutan-1-amine?
The IUPAC name of 3-(3-ethoxyphenyl)-2-methylcyclobutan-1-amine (CID 81415517) is 3-(3-ethoxyphenyl)-2-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(3-ethoxyphenyl)-2-methylcyclobutan-1-amine?
The canonical SMILES for 3-(3-ethoxyphenyl)-2-methylcyclobutan-1-amine is CCOc1cccc(C2CC(N)C2C)c1.
What is the InChIKey of 3-(3-ethoxyphenyl)-2-methylcyclobutan-1-amine?
The InChIKey is RSDNCSIWORHJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-15-11-6-4-5-10(7-11)12-8-13(14)9(12)2/h4-7,9,12-13H,3,8,14H2,1-2H3.
What are the key properties of 3-(3-ethoxyphenyl)-2-methylcyclobutan-1-amine?
3-(3-ethoxyphenyl)-2-methylcyclobutan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenyl)-2-methylcyclobutan-1-amine is sourced from PubChem (CID 81415517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).