(1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)propan-2-ol

C14H17NO — CID 171269449

IUPAC(1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)propan-2-ol
SMILESCc1ccc([C@H](N)[C@@H](C)O)c2ccccc12
InChIInChI=1S/C14H17NO/c1-9-7-8-13(14(15)10(2)16)12-6-4-3-5-11(9)12/h3-8,10,14,16H,15H2,1-2H3/t10-,14-/m1/s1
InChIKeyAAOSZJBOZQXWSJ-QMTHXVAHSA-N
MW215.30 g/mol
LogP2.53
Rot. Bonds2

About (1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)propan-2-ol

(1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)propan-2-ol (PubChem CID 171269449) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)propan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)propan-2-ol
PubChem CID171269449
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)propan-2-ol
SMILESCc1ccc([C@H](N)[C@@H](C)O)c2ccccc12
InChIInChI=1S/C14H17NO/c1-9-7-8-13(14(15)10(2)16)12-6-4-3-5-11(9)12/h3-8,10,14,16H,15H2,1-2H3/t10-,14-/m1/s1
InChIKeyAAOSZJBOZQXWSJ-QMTHXVAHSA-N
XLogP2.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)propan-2-ol 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

(1S,2R)-1-amino-3-methyl-1-(4-methylnaphthalen-1-yl)butan-2-ol;hydrochloride
CID 171269462
(1S,2R)-2-amino-1-cyclopropyl-2-(4-methylnaphthalen-1-yl)ethanol
CID 171263780
(1R,2S)-1-amino-1-(4-methylnaphthalen-1-yl)pentan-2-ol;hydrochloride
CID 171263797
(1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)-3-phenylpropan-2-ol;hydrochloride
CID 171269476
(1R,2S)-1-amino-1-(2-methylphenyl)propan-2-ol;hydrochloride
CID 171160087
1-(difluoromethyl)-4-methylnaphthalene
CID 53408199
2-methyl-1-(5-methylnaphthalen-1-yl)propan-1-amine
CID 130152612
3-methyl-1-(4-methylnaphthalen-1-yl)butan-1-ol
CID 57071428
1-(4-methylnaphthalen-1-yl)propan-1-ol
CID 10856503
(1S)-2,2-dimethyl-1-(4-methylnaphthalen-1-yl)propan-1-amine
CID 171242641
(1R)-1-(4-methylnaphthalen-1-yl)propan-1-amine
CID 78961015
methyl (2R)-2-(4-methylnaphthalen-1-yl)propanoate
CID 102595202

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)propan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)propan-2-ol (CID 171269449) is (1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)propan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)propan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)propan-2-ol is Cc1ccc([C@H](N)[C@@H](C)O)c2ccccc12.
What is the InChIKey of (1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)propan-2-ol?
The InChIKey is AAOSZJBOZQXWSJ-QMTHXVAHSA-N. The full InChI is InChI=1S/C14H17NO/c1-9-7-8-13(14(15)10(2)16)12-6-4-3-5-11(9)12/h3-8,10,14,16H,15H2,1-2H3/t10-,14-/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)propan-2-ol?
(1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)propan-2-ol has a molecular weight of 215.30 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)propan-2-ol is sourced from PubChem (CID 171269449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).