3-[(1S)-1-amino-2-cyclopropylethyl]-2-ethylphenol

C13H19NO — CID 165346025

IUPAC3-[(1S)-1-amino-2-cyclopropylethyl]-2-ethylphenol
SMILESCCc1c(O)cccc1[C@@H](N)CC1CC1
InChIInChI=1S/C13H19NO/c1-2-10-11(4-3-5-13(10)15)12(14)8-9-6-7-9/h3-5,9,12,15H,2,6-8,14H2,1H3/t12-/m0/s1
InChIKeyFVMSUESSQVTYBS-LBPRGKRZSA-N
MW205.30 g/mol
LogP2.75
Rot. Bonds4

About 3-[(1S)-1-amino-2-cyclopropylethyl]-2-ethylphenol

3-[(1S)-1-amino-2-cyclopropylethyl]-2-ethylphenol (PubChem CID 165346025) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-[(1S)-1-amino-2-cyclopropylethyl]-2-ethylphenol.

Molecular Properties

Compound Name3-[(1S)-1-amino-2-cyclopropylethyl]-2-ethylphenol
PubChem CID165346025
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-[(1S)-1-amino-2-cyclopropylethyl]-2-ethylphenol
SMILESCCc1c(O)cccc1[C@@H](N)CC1CC1
InChIInChI=1S/C13H19NO/c1-2-10-11(4-3-5-13(10)15)12(14)8-9-6-7-9/h3-5,9,12,15H,2,6-8,14H2,1H3/t12-/m0/s1
InChIKeyFVMSUESSQVTYBS-LBPRGKRZSA-N
XLogP2.75
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(1S)-1-amino-2-cyclopropylethyl]-2-ethylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1S)-1-amino-2-cyclopropylethyl]-6-ethylphenol
CID 171253881
2-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
CID 171220494
2-[(1R)-1-amino-2-cyclopropylethyl]-6-ethoxyphenol
CID 171216016
2-(1-amino-2-cyclopropylethyl)benzene-1,3-diol
CID 130061799
2-cyclopropyl-1-(2-iodo-3-methylphenyl)ethanamine
CID 103845963
2-(1-amino-2-cyclopropylethyl)-6-fluorophenol
CID 55268848
2-[(1R)-1-amino-2-cyclopropylethyl]-6-chlorophenol;hydrochloride
CID 171204746
2-[(1S)-1-amino-2-cyclopropylethyl]-6-methoxyphenol;hydrochloride
CID 171231890
3-[(1S,2S)-1-amino-2-hydroxypropyl]-2-ethylphenol
CID 55269125
2-cyclopentyl-1-(2-ethylphenyl)ethanamine
CID 115847413
(1R)-2-cyclopropyl-1-(2,3-dichlorophenyl)ethanamine
CID 130971374
(1S)-2-cyclopropyl-1-(2,3-difluorophenyl)ethanamine
CID 131113466

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-amino-2-cyclopropylethyl]-2-ethylphenol?
The IUPAC name of 3-[(1S)-1-amino-2-cyclopropylethyl]-2-ethylphenol (CID 165346025) is 3-[(1S)-1-amino-2-cyclopropylethyl]-2-ethylphenol.
What is the SMILES notation for 3-[(1S)-1-amino-2-cyclopropylethyl]-2-ethylphenol?
The canonical SMILES for 3-[(1S)-1-amino-2-cyclopropylethyl]-2-ethylphenol is CCc1c(O)cccc1[C@@H](N)CC1CC1.
What is the InChIKey of 3-[(1S)-1-amino-2-cyclopropylethyl]-2-ethylphenol?
The InChIKey is FVMSUESSQVTYBS-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-10-11(4-3-5-13(10)15)12(14)8-9-6-7-9/h3-5,9,12,15H,2,6-8,14H2,1H3/t12-/m0/s1.
What are the key properties of 3-[(1S)-1-amino-2-cyclopropylethyl]-2-ethylphenol?
3-[(1S)-1-amino-2-cyclopropylethyl]-2-ethylphenol has a molecular weight of 205.30 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-amino-2-cyclopropylethyl]-2-ethylphenol is sourced from PubChem (CID 165346025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).