(2S)-1-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol

C22H25NO2 — CID 29186721

IUPAC(2S)-1-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
SMILESCc1ccc(COc2ccc3ccccc3c2CNC[C@H](C)O)cc1
InChIInChI=1S/C22H25NO2/c1-16-7-9-18(10-8-16)15-25-22-12-11-19-5-3-4-6-20(19)21(22)14-23-13-17(2)24/h3-12,17,23-24H,13-15H2,1-2H3/t17-/m0/s1
InChIKeyCQVCHOVNYCHEIJ-KRWDZBQOSA-N
MW335.45 g/mol
LogP4.20
Rot. Bonds7

About (2S)-1-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol

(2S)-1-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol (PubChem CID 29186721) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is (2S)-1-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
PubChem CID29186721
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name(2S)-1-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
SMILESCc1ccc(COc2ccc3ccccc3c2CNC[C@H](C)O)cc1
InChIInChI=1S/C22H25NO2/c1-16-7-9-18(10-8-16)15-25-22-12-11-19-5-3-4-6-20(19)21(22)14-23-13-17(2)24/h3-12,17,23-24H,13-15H2,1-2H3/t17-/m0/s1
InChIKeyCQVCHOVNYCHEIJ-KRWDZBQOSA-N
XLogP4.20
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol with MolForge

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Related Compounds

1-[2-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]propan-2-ol
CID 17054897
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 17054851
(2S)-1-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
CID 51997008
2-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride
CID 17291277
(2S)-1-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
CID 7632508
(2S)-1-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 29186334
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17209098
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
CID 17054825
(2R)-1-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]propan-2-ol
CID 51996892
2-[3-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]propylamino]ethanol
CID 17214333
1-(2-methoxyphenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride
CID 17208275
2-[1-[(2-hydroxypropylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053529

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol?
The IUPAC name of (2S)-1-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol (CID 29186721) is (2S)-1-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol is Cc1ccc(COc2ccc3ccccc3c2CNC[C@H](C)O)cc1.
What is the InChIKey of (2S)-1-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol?
The InChIKey is CQVCHOVNYCHEIJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H25NO2/c1-16-7-9-18(10-8-16)15-25-22-12-11-19-5-3-4-6-20(19)21(22)14-23-13-17(2)24/h3-12,17,23-24H,13-15H2,1-2H3/t17-/m0/s1.
What are the key properties of (2S)-1-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol?
(2S)-1-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol has a molecular weight of 335.45 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol is sourced from PubChem (CID 29186721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).