2-cyclopropyl-1-(4-ethoxyphenyl)propan-1-amine

C14H21NO — CID 83153985

IUPAC2-cyclopropyl-1-(4-ethoxyphenyl)propan-1-amine
SMILESCCOc1ccc(C(N)C(C)C2CC2)cc1
InChIInChI=1S/C14H21NO/c1-3-16-13-8-6-12(7-9-13)14(15)10(2)11-4-5-11/h6-11,14H,3-5,15H2,1-2H3
InChIKeyIGDIOSOSGLYMMB-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.13
Rot. Bonds5

About 2-cyclopropyl-1-(4-ethoxyphenyl)propan-1-amine

2-cyclopropyl-1-(4-ethoxyphenyl)propan-1-amine (PubChem CID 83153985) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-cyclopropyl-1-(4-ethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-1-(4-ethoxyphenyl)propan-1-amine
PubChem CID83153985
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-cyclopropyl-1-(4-ethoxyphenyl)propan-1-amine
SMILESCCOc1ccc(C(N)C(C)C2CC2)cc1
InChIInChI=1S/C14H21NO/c1-3-16-13-8-6-12(7-9-13)14(15)10(2)11-4-5-11/h6-11,14H,3-5,15H2,1-2H3
InChIKeyIGDIOSOSGLYMMB-UHFFFAOYSA-N
XLogP3.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-amine
CID 83154180
1-(4-ethoxyphenyl)-2-methylbutan-1-amine
CID 12771706
(1S,2R)-1-amino-1-(4-ethoxyphenyl)propan-2-ol;hydrochloride
CID 171266991
4-[amino-(4-ethoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116937243
[(4-ethoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]hydrazine
CID 105232452
2-cyclopentyl-1-(4-ethoxyphenyl)ethanol
CID 61101248
(4-ethoxyphenyl)-(4-propylcyclohexyl)methanamine
CID 65422984
3-amino-1-cyclopropyl-2-(4-ethoxyphenyl)propan-1-ol
CID 65187865
1-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]propan-1-amine
CID 64918622
1-cyclopropyl-N-[2-(4-ethoxyphenoxy)ethyl]ethanamine
CID 55024132
N-cycloheptyl-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65379732
N-[1-(4-ethoxyphenyl)ethyl]thian-4-amine
CID 43233377

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(4-ethoxyphenyl)propan-1-amine?
The IUPAC name of 2-cyclopropyl-1-(4-ethoxyphenyl)propan-1-amine (CID 83153985) is 2-cyclopropyl-1-(4-ethoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-1-(4-ethoxyphenyl)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-1-(4-ethoxyphenyl)propan-1-amine is CCOc1ccc(C(N)C(C)C2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-1-(4-ethoxyphenyl)propan-1-amine?
The InChIKey is IGDIOSOSGLYMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-16-13-8-6-12(7-9-13)14(15)10(2)11-4-5-11/h6-11,14H,3-5,15H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-(4-ethoxyphenyl)propan-1-amine?
2-cyclopropyl-1-(4-ethoxyphenyl)propan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(4-ethoxyphenyl)propan-1-amine is sourced from PubChem (CID 83153985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).