2-[(R)-amino-(4-methylphenyl)methyl]naphthalen-1-ol

C18H17NO — CID 39345482

IUPAC2-[(R)-amino-(4-methylphenyl)methyl]naphthalen-1-ol
SMILESCc1ccc([C@@H](N)c2ccc3ccccc3c2O)cc1
InChIInChI=1S/C18H17NO/c1-12-6-8-14(9-7-12)17(19)16-11-10-13-4-2-3-5-15(13)18(16)20/h2-11,17,20H,19H2,1H3/t17-/m1/s1
InChIKeyPBWRKTMVIOSTKI-QGZVFWFLSA-N
MW263.34 g/mol
LogP3.90
Rot. Bonds2

About 2-[(R)-amino-(4-methylphenyl)methyl]naphthalen-1-ol

2-[(R)-amino-(4-methylphenyl)methyl]naphthalen-1-ol (PubChem CID 39345482) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(R)-amino-(4-methylphenyl)methyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[(R)-amino-(4-methylphenyl)methyl]naphthalen-1-ol
PubChem CID39345482
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name2-[(R)-amino-(4-methylphenyl)methyl]naphthalen-1-ol
SMILESCc1ccc([C@@H](N)c2ccc3ccccc3c2O)cc1
InChIInChI=1S/C18H17NO/c1-12-6-8-14(9-7-12)17(19)16-11-10-13-4-2-3-5-15(13)18(16)20/h2-11,17,20H,19H2,1H3/t17-/m1/s1
InChIKeyPBWRKTMVIOSTKI-QGZVFWFLSA-N
XLogP3.90
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino-(4-methylphenyl)methyl]naphthalen-1-ol?
The IUPAC name of 2-[(R)-amino-(4-methylphenyl)methyl]naphthalen-1-ol (CID 39345482) is 2-[(R)-amino-(4-methylphenyl)methyl]naphthalen-1-ol.
What is the SMILES notation for 2-[(R)-amino-(4-methylphenyl)methyl]naphthalen-1-ol?
The canonical SMILES for 2-[(R)-amino-(4-methylphenyl)methyl]naphthalen-1-ol is Cc1ccc([C@@H](N)c2ccc3ccccc3c2O)cc1.
What is the InChIKey of 2-[(R)-amino-(4-methylphenyl)methyl]naphthalen-1-ol?
The InChIKey is PBWRKTMVIOSTKI-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H17NO/c1-12-6-8-14(9-7-12)17(19)16-11-10-13-4-2-3-5-15(13)18(16)20/h2-11,17,20H,19H2,1H3/t17-/m1/s1.
What are the key properties of 2-[(R)-amino-(4-methylphenyl)methyl]naphthalen-1-ol?
2-[(R)-amino-(4-methylphenyl)methyl]naphthalen-1-ol has a molecular weight of 263.34 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-amino-(4-methylphenyl)methyl]naphthalen-1-ol is sourced from PubChem (CID 39345482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).