3-(aminomethyl)-2-(4-ethylphenyl)pentan-2-ol

C14H23NO — CID 79135658

IUPAC3-(aminomethyl)-2-(4-ethylphenyl)pentan-2-ol
SMILESCCc1ccc(C(C)(O)C(CC)CN)cc1
InChIInChI=1S/C14H23NO/c1-4-11-6-8-13(9-7-11)14(3,16)12(5-2)10-15/h6-9,12,16H,4-5,10,15H2,1-3H3
InChIKeyVZTMETWLPLHMSI-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.44
Rot. Bonds5

About 3-(aminomethyl)-2-(4-ethylphenyl)pentan-2-ol

3-(aminomethyl)-2-(4-ethylphenyl)pentan-2-ol (PubChem CID 79135658) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-(aminomethyl)-2-(4-ethylphenyl)pentan-2-ol.

Molecular Properties

Compound Name3-(aminomethyl)-2-(4-ethylphenyl)pentan-2-ol
PubChem CID79135658
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-(aminomethyl)-2-(4-ethylphenyl)pentan-2-ol
SMILESCCc1ccc(C(C)(O)C(CC)CN)cc1
InChIInChI=1S/C14H23NO/c1-4-11-6-8-13(9-7-11)14(3,16)12(5-2)10-15/h6-9,12,16H,4-5,10,15H2,1-3H3
InChIKeyVZTMETWLPLHMSI-UHFFFAOYSA-N
XLogP2.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2-(4-ethylphenyl)pentan-2-ol?
The IUPAC name of 3-(aminomethyl)-2-(4-ethylphenyl)pentan-2-ol (CID 79135658) is 3-(aminomethyl)-2-(4-ethylphenyl)pentan-2-ol.
What is the SMILES notation for 3-(aminomethyl)-2-(4-ethylphenyl)pentan-2-ol?
The canonical SMILES for 3-(aminomethyl)-2-(4-ethylphenyl)pentan-2-ol is CCc1ccc(C(C)(O)C(CC)CN)cc1.
What is the InChIKey of 3-(aminomethyl)-2-(4-ethylphenyl)pentan-2-ol?
The InChIKey is VZTMETWLPLHMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-11-6-8-13(9-7-11)14(3,16)12(5-2)10-15/h6-9,12,16H,4-5,10,15H2,1-3H3.
What are the key properties of 3-(aminomethyl)-2-(4-ethylphenyl)pentan-2-ol?
3-(aminomethyl)-2-(4-ethylphenyl)pentan-2-ol has a molecular weight of 221.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2-(4-ethylphenyl)pentan-2-ol is sourced from PubChem (CID 79135658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).