2-[(1R)-2-methyl-1-[[(1R)-1-phenylethyl]amino]propyl]naphthalen-1-ol

C22H25NO — CID 131854781

IUPAC2-[(1R)-2-methyl-1-[[(1R)-1-phenylethyl]amino]propyl]naphthalen-1-ol
SMILESCC(C)[C@@H](N[C@H](C)c1ccccc1)c1ccc2ccccc2c1O
InChIInChI=1S/C22H25NO/c1-15(2)21(23-16(3)17-9-5-4-6-10-17)20-14-13-18-11-7-8-12-19(18)22(20)24/h4-16,21,23-24H,1-3H3/t16-,21-/m1/s1
InChIKeyDEZDGLMAEIMJRI-IIBYNOLFSA-N
MW319.45 g/mol
LogP5.59
Rot. Bonds5

About 2-[(1R)-2-methyl-1-[[(1R)-1-phenylethyl]amino]propyl]naphthalen-1-ol

2-[(1R)-2-methyl-1-[[(1R)-1-phenylethyl]amino]propyl]naphthalen-1-ol (PubChem CID 131854781) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[(1R)-2-methyl-1-[[(1R)-1-phenylethyl]amino]propyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[(1R)-2-methyl-1-[[(1R)-1-phenylethyl]amino]propyl]naphthalen-1-ol
PubChem CID131854781
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name2-[(1R)-2-methyl-1-[[(1R)-1-phenylethyl]amino]propyl]naphthalen-1-ol
SMILESCC(C)[C@@H](N[C@H](C)c1ccccc1)c1ccc2ccccc2c1O
InChIInChI=1S/C22H25NO/c1-15(2)21(23-16(3)17-9-5-4-6-10-17)20-14-13-18-11-7-8-12-19(18)22(20)24/h4-16,21,23-24H,1-3H3/t16-,21-/m1/s1
InChIKeyDEZDGLMAEIMJRI-IIBYNOLFSA-N
XLogP5.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 55.59
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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Related Compounds

2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]acetic acid
CID 43135176
2-[1-(ethoxyamino)ethyl]naphthalen-1-ol
CID 82709739
(1S)-N-(1-naphthalen-1-ylethyl)-1-phenylethanamine
CID 78956224
2-(1-bromoethyl)naphthalen-1-ol
CID 140980182
2-[1-(1-hydroxybutan-2-ylamino)ethyl]naphthalen-1-ol
CID 43207098
(1R)-N-[(1R)-1-phenanthren-9-ylethyl]-1-phenylethanamine
CID 102238248
(1R)-N-[(1S)-1-phenanthren-2-ylethyl]-1-phenylethanamine
CID 102238252
2-[1-[(2,5-dimethylpyrrol-1-yl)amino]ethyl]naphthalen-1-ol
CID 79090793
2-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]naphthalen-1-ol
CID 81389862
2-[1-[methyl(3-methylbutan-2-yl)amino]ethyl]naphthalen-1-ol
CID 82977951
4-[1-(1-hydroxynaphthalen-2-yl)ethylamino]butanoic acid
CID 60782934
2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]naphthalen-1-ol
CID 79353109

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2-methyl-1-[[(1R)-1-phenylethyl]amino]propyl]naphthalen-1-ol?
The IUPAC name of 2-[(1R)-2-methyl-1-[[(1R)-1-phenylethyl]amino]propyl]naphthalen-1-ol (CID 131854781) is 2-[(1R)-2-methyl-1-[[(1R)-1-phenylethyl]amino]propyl]naphthalen-1-ol.
What is the SMILES notation for 2-[(1R)-2-methyl-1-[[(1R)-1-phenylethyl]amino]propyl]naphthalen-1-ol?
The canonical SMILES for 2-[(1R)-2-methyl-1-[[(1R)-1-phenylethyl]amino]propyl]naphthalen-1-ol is CC(C)[C@@H](N[C@H](C)c1ccccc1)c1ccc2ccccc2c1O.
What is the InChIKey of 2-[(1R)-2-methyl-1-[[(1R)-1-phenylethyl]amino]propyl]naphthalen-1-ol?
The InChIKey is DEZDGLMAEIMJRI-IIBYNOLFSA-N. The full InChI is InChI=1S/C22H25NO/c1-15(2)21(23-16(3)17-9-5-4-6-10-17)20-14-13-18-11-7-8-12-19(18)22(20)24/h4-16,21,23-24H,1-3H3/t16-,21-/m1/s1.
What are the key properties of 2-[(1R)-2-methyl-1-[[(1R)-1-phenylethyl]amino]propyl]naphthalen-1-ol?
2-[(1R)-2-methyl-1-[[(1R)-1-phenylethyl]amino]propyl]naphthalen-1-ol has a molecular weight of 319.45 g/mol, XLogP of 5.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2-methyl-1-[[(1R)-1-phenylethyl]amino]propyl]naphthalen-1-ol is sourced from PubChem (CID 131854781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).