2-[(1S)-1-amino-2-cyclopropylethyl]-5-(diethylamino)phenol

C15H24N2O — CID 171217385

IUPAC2-[(1S)-1-amino-2-cyclopropylethyl]-5-(diethylamino)phenol
SMILESCCN(CC)c1ccc([C@@H](N)CC2CC2)c(O)c1
InChIInChI=1S/C15H24N2O/c1-3-17(4-2)12-7-8-13(15(18)10-12)14(16)9-11-5-6-11/h7-8,10-11,14,18H,3-6,9,16H2,1-2H3/t14-/m0/s1
InChIKeyJWXWVCWYNBUDCY-AWEZNQCLSA-N
MW248.37 g/mol
LogP3.04
Rot. Bonds6

About 2-[(1S)-1-amino-2-cyclopropylethyl]-5-(diethylamino)phenol

2-[(1S)-1-amino-2-cyclopropylethyl]-5-(diethylamino)phenol (PubChem CID 171217385) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[(1S)-1-amino-2-cyclopropylethyl]-5-(diethylamino)phenol.

Molecular Properties

Compound Name2-[(1S)-1-amino-2-cyclopropylethyl]-5-(diethylamino)phenol
PubChem CID171217385
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[(1S)-1-amino-2-cyclopropylethyl]-5-(diethylamino)phenol
SMILESCCN(CC)c1ccc([C@@H](N)CC2CC2)c(O)c1
InChIInChI=1S/C15H24N2O/c1-3-17(4-2)12-7-8-13(15(18)10-12)14(16)9-11-5-6-11/h7-8,10-11,14,18H,3-6,9,16H2,1-2H3/t14-/m0/s1
InChIKeyJWXWVCWYNBUDCY-AWEZNQCLSA-N
XLogP3.04
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[(1S)-1-amino-2-cyclopropylethyl]-5-(diethylamino)phenol 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-[(R)-amino(cyclopentyl)methyl]-5-(diethylamino)phenol;hydrochloride
CID 171197889
2-[(S)-amino(cyclohexyl)methyl]-5-(diethylamino)phenol;hydrochloride
CID 171217400
2-[(1S)-1-amino-3-methylbutyl]-5-(diethylamino)phenol
CID 171217383
2-[(1S)-1-amino-3-fluoropropyl]-5-(diethylamino)phenol;hydrochloride
CID 171217392
2-[(1R)-1-amino-2,2-difluoroethyl]-5-(diethylamino)phenol;hydrochloride
CID 171238756
2-(1-amino-2-cyclopropylethyl)-5-iodophenol
CID 130062553
2-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-5-(diethylamino)phenol;dihydrochloride
CID 171272322
5-[cyclopropylmethyl(ethyl)amino]-2-[1-(methylamino)ethyl]phenol
CID 79603652
2-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
CID 171220494
4-[(1R)-1-amino-2-cyclopropylethyl]-3-chloro-N,N-dimethylaniline
CID 171212628
3-[(1S)-1-amino-2-cyclopropylethyl]-2-ethylphenol
CID 165346025
4-[(1R)-1-amino-2-cyclopropylethyl]-3-fluorophenol;hydrochloride
CID 171199182

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-amino-2-cyclopropylethyl]-5-(diethylamino)phenol?
The IUPAC name of 2-[(1S)-1-amino-2-cyclopropylethyl]-5-(diethylamino)phenol (CID 171217385) is 2-[(1S)-1-amino-2-cyclopropylethyl]-5-(diethylamino)phenol.
What is the SMILES notation for 2-[(1S)-1-amino-2-cyclopropylethyl]-5-(diethylamino)phenol?
The canonical SMILES for 2-[(1S)-1-amino-2-cyclopropylethyl]-5-(diethylamino)phenol is CCN(CC)c1ccc([C@@H](N)CC2CC2)c(O)c1.
What is the InChIKey of 2-[(1S)-1-amino-2-cyclopropylethyl]-5-(diethylamino)phenol?
The InChIKey is JWXWVCWYNBUDCY-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-17(4-2)12-7-8-13(15(18)10-12)14(16)9-11-5-6-11/h7-8,10-11,14,18H,3-6,9,16H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-[(1S)-1-amino-2-cyclopropylethyl]-5-(diethylamino)phenol?
2-[(1S)-1-amino-2-cyclopropylethyl]-5-(diethylamino)phenol has a molecular weight of 248.37 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-amino-2-cyclopropylethyl]-5-(diethylamino)phenol is sourced from PubChem (CID 171217385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).