(1S,2R)-2-amino-1-cyclopropyl-2-(4-methylnaphthalen-1-yl)ethanol

C16H19NO — CID 171263780

IUPAC(1S,2R)-2-amino-1-cyclopropyl-2-(4-methylnaphthalen-1-yl)ethanol
SMILESCc1ccc([C@@H](N)[C@@H](O)C2CC2)c2ccccc12
InChIInChI=1S/C16H19NO/c1-10-6-9-14(13-5-3-2-4-12(10)13)15(17)16(18)11-7-8-11/h2-6,9,11,15-16,18H,7-8,17H2,1H3/t15-,16+/m1/s1
InChIKeyWHRDSZWJBQZGFT-CVEARBPZSA-N
MW241.33 g/mol
LogP2.92
Rot. Bonds3

About (1S,2R)-2-amino-1-cyclopropyl-2-(4-methylnaphthalen-1-yl)ethanol

(1S,2R)-2-amino-1-cyclopropyl-2-(4-methylnaphthalen-1-yl)ethanol (PubChem CID 171263780) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-cyclopropyl-2-(4-methylnaphthalen-1-yl)ethanol.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-cyclopropyl-2-(4-methylnaphthalen-1-yl)ethanol
PubChem CID171263780
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(1S,2R)-2-amino-1-cyclopropyl-2-(4-methylnaphthalen-1-yl)ethanol
SMILESCc1ccc([C@@H](N)[C@@H](O)C2CC2)c2ccccc12
InChIInChI=1S/C16H19NO/c1-10-6-9-14(13-5-3-2-4-12(10)13)15(17)16(18)11-7-8-11/h2-6,9,11,15-16,18H,7-8,17H2,1H3/t15-,16+/m1/s1
InChIKeyWHRDSZWJBQZGFT-CVEARBPZSA-N
XLogP2.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2R)-2-amino-1-cyclopropyl-2-(4-methylnaphthalen-1-yl)ethanol 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

4-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]naphthalen-1-ol
CID 171269425
(1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)propan-2-ol
CID 171269449
(1S,2R)-1-amino-3-methyl-1-(4-methylnaphthalen-1-yl)butan-2-ol;hydrochloride
CID 171269462
4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]naphthalen-1-ol;hydrochloride
CID 171269428
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol
CID 171266215
(1R)-2-cyclopropyl-1-(4-methylnaphthalen-1-yl)ethanamine;hydrochloride
CID 171208948
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol;hydrochloride
CID 171266216
2-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]-6-methylphenol
CID 171270321
(1R,2S)-1-amino-1-(4-methylnaphthalen-1-yl)pentan-2-ol;hydrochloride
CID 171263797
(R)-(4-methylnaphthalen-1-yl)-piperidin-4-ylmethanamine
CID 171314485
(1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol
CID 171267944
(1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)-3-phenylpropan-2-ol;hydrochloride
CID 171269476

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-cyclopropyl-2-(4-methylnaphthalen-1-yl)ethanol?
The IUPAC name of (1S,2R)-2-amino-1-cyclopropyl-2-(4-methylnaphthalen-1-yl)ethanol (CID 171263780) is (1S,2R)-2-amino-1-cyclopropyl-2-(4-methylnaphthalen-1-yl)ethanol.
What is the SMILES notation for (1S,2R)-2-amino-1-cyclopropyl-2-(4-methylnaphthalen-1-yl)ethanol?
The canonical SMILES for (1S,2R)-2-amino-1-cyclopropyl-2-(4-methylnaphthalen-1-yl)ethanol is Cc1ccc([C@@H](N)[C@@H](O)C2CC2)c2ccccc12.
What is the InChIKey of (1S,2R)-2-amino-1-cyclopropyl-2-(4-methylnaphthalen-1-yl)ethanol?
The InChIKey is WHRDSZWJBQZGFT-CVEARBPZSA-N. The full InChI is InChI=1S/C16H19NO/c1-10-6-9-14(13-5-3-2-4-12(10)13)15(17)16(18)11-7-8-11/h2-6,9,11,15-16,18H,7-8,17H2,1H3/t15-,16+/m1/s1.
What are the key properties of (1S,2R)-2-amino-1-cyclopropyl-2-(4-methylnaphthalen-1-yl)ethanol?
(1S,2R)-2-amino-1-cyclopropyl-2-(4-methylnaphthalen-1-yl)ethanol has a molecular weight of 241.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-1-cyclopropyl-2-(4-methylnaphthalen-1-yl)ethanol is sourced from PubChem (CID 171263780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).