3-(2-amino-5-ethylphenyl)-1-cyclopropylpropan-1-ol

C14H21NO — CID 146650437

IUPAC3-(2-amino-5-ethylphenyl)-1-cyclopropylpropan-1-ol
SMILESCCc1ccc(N)c(CCC(O)C2CC2)c1
InChIInChI=1S/C14H21NO/c1-2-10-3-7-13(15)12(9-10)6-8-14(16)11-4-5-11/h3,7,9,11,14,16H,2,4-6,8,15H2,1H3
InChIKeyODMHKFPQZBIVAJ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.53
Rot. Bonds5

About 3-(2-amino-5-ethylphenyl)-1-cyclopropylpropan-1-ol

3-(2-amino-5-ethylphenyl)-1-cyclopropylpropan-1-ol (PubChem CID 146650437) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(2-amino-5-ethylphenyl)-1-cyclopropylpropan-1-ol.

Molecular Properties

Compound Name3-(2-amino-5-ethylphenyl)-1-cyclopropylpropan-1-ol
PubChem CID146650437
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-(2-amino-5-ethylphenyl)-1-cyclopropylpropan-1-ol
SMILESCCc1ccc(N)c(CCC(O)C2CC2)c1
InChIInChI=1S/C14H21NO/c1-2-10-3-7-13(15)12(9-10)6-8-14(16)11-4-5-11/h3,7,9,11,14,16H,2,4-6,8,15H2,1H3
InChIKeyODMHKFPQZBIVAJ-UHFFFAOYSA-N
XLogP2.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-ethylphenyl)-1-cyclopropylpropan-1-ol?
The IUPAC name of 3-(2-amino-5-ethylphenyl)-1-cyclopropylpropan-1-ol (CID 146650437) is 3-(2-amino-5-ethylphenyl)-1-cyclopropylpropan-1-ol.
What is the SMILES notation for 3-(2-amino-5-ethylphenyl)-1-cyclopropylpropan-1-ol?
The canonical SMILES for 3-(2-amino-5-ethylphenyl)-1-cyclopropylpropan-1-ol is CCc1ccc(N)c(CCC(O)C2CC2)c1.
What is the InChIKey of 3-(2-amino-5-ethylphenyl)-1-cyclopropylpropan-1-ol?
The InChIKey is ODMHKFPQZBIVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-10-3-7-13(15)12(9-10)6-8-14(16)11-4-5-11/h3,7,9,11,14,16H,2,4-6,8,15H2,1H3.
What are the key properties of 3-(2-amino-5-ethylphenyl)-1-cyclopropylpropan-1-ol?
3-(2-amino-5-ethylphenyl)-1-cyclopropylpropan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-ethylphenyl)-1-cyclopropylpropan-1-ol is sourced from PubChem (CID 146650437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).