3-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]-1-naphthalen-2-ylpropan-1-ol

C23H28N2O — CID 59570766

IUPAC3-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]-1-naphthalen-2-ylpropan-1-ol
SMILESCc1cccc(CN(CCC(O)c2ccc3ccccc3c2)C(C)C)n1
InChIInChI=1S/C23H28N2O/c1-17(2)25(16-22-10-6-7-18(3)24-22)14-13-23(26)21-12-11-19-8-4-5-9-20(19)15-21/h4-12,15,17,23,26H,13-14,16H2,1-3H3
InChIKeyYXXALUPTUMIWCP-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.88
Rot. Bonds7

About 3-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]-1-naphthalen-2-ylpropan-1-ol

3-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]-1-naphthalen-2-ylpropan-1-ol (PubChem CID 59570766) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 3-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]-1-naphthalen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]-1-naphthalen-2-ylpropan-1-ol
PubChem CID59570766
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name3-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]-1-naphthalen-2-ylpropan-1-ol
SMILESCc1cccc(CN(CCC(O)c2ccc3ccccc3c2)C(C)C)n1
InChIInChI=1S/C23H28N2O/c1-17(2)25(16-22-10-6-7-18(3)24-22)14-13-23(26)21-12-11-19-8-4-5-9-20(19)15-21/h4-12,15,17,23,26H,13-14,16H2,1-3H3
InChIKeyYXXALUPTUMIWCP-UHFFFAOYSA-N
XLogP4.88
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]ethanol
CID 79261151
N-(2-chloroethyl)-N-[(6-methyl-2-pyridinyl)methyl]propan-2-amine
CID 79260631
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-propan-2-ylpropan-1-amine
CID 23588532
2-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetic acid
CID 79261215
3-(4-chloro-N-propan-2-ylanilino)-1-naphthalen-2-ylpropan-1-ol
CID 59570736
3-(dimethylamino)-1-(2-methylquinolin-6-yl)propan-1-ol
CID 113291153
(1S)-1-naphthalen-2-ylbutane-1,4-diol
CID 163077127
3-amino-1-naphthalen-2-ylpropan-1-ol
CID 65184856
3-methyl-1-naphthalen-2-ylbutan-1-ol
CID 62717256
N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-N-propan-2-ylacetamide
CID 125463943
2-(dimethylamino)-1-naphthalen-2-ylethanol
CID 60981028
ethane;1-naphthalen-2-ylpropan-1-ol
CID 143858826

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]-1-naphthalen-2-ylpropan-1-ol?
The IUPAC name of 3-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]-1-naphthalen-2-ylpropan-1-ol (CID 59570766) is 3-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]-1-naphthalen-2-ylpropan-1-ol.
What is the SMILES notation for 3-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]-1-naphthalen-2-ylpropan-1-ol?
The canonical SMILES for 3-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]-1-naphthalen-2-ylpropan-1-ol is Cc1cccc(CN(CCC(O)c2ccc3ccccc3c2)C(C)C)n1.
What is the InChIKey of 3-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]-1-naphthalen-2-ylpropan-1-ol?
The InChIKey is YXXALUPTUMIWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-17(2)25(16-22-10-6-7-18(3)24-22)14-13-23(26)21-12-11-19-8-4-5-9-20(19)15-21/h4-12,15,17,23,26H,13-14,16H2,1-3H3.
What are the key properties of 3-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]-1-naphthalen-2-ylpropan-1-ol?
3-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]-1-naphthalen-2-ylpropan-1-ol has a molecular weight of 348.49 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]-1-naphthalen-2-ylpropan-1-ol is sourced from PubChem (CID 59570766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).