1-naphthalen-2-yl-3-(N-propan-2-ylanilino)propan-1-ol

C22H25NO — CID 25229666

IUPAC1-naphthalen-2-yl-3-(N-propan-2-ylanilino)propan-1-ol
SMILESCC(C)N(CCC(O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C22H25NO/c1-17(2)23(21-10-4-3-5-11-21)15-14-22(24)20-13-12-18-8-6-7-9-19(18)16-20/h3-13,16-17,22,24H,14-15H2,1-2H3
InChIKeyGNGHQAUZLCRKON-UHFFFAOYSA-N
MW319.45 g/mol
LogP5.18
Rot. Bonds6

About 1-naphthalen-2-yl-3-(N-propan-2-ylanilino)propan-1-ol

1-naphthalen-2-yl-3-(N-propan-2-ylanilino)propan-1-ol (PubChem CID 25229666) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-naphthalen-2-yl-3-(N-propan-2-ylanilino)propan-1-ol.

Molecular Properties

Compound Name1-naphthalen-2-yl-3-(N-propan-2-ylanilino)propan-1-ol
PubChem CID25229666
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name1-naphthalen-2-yl-3-(N-propan-2-ylanilino)propan-1-ol
SMILESCC(C)N(CCC(O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C22H25NO/c1-17(2)23(21-10-4-3-5-11-21)15-14-22(24)20-13-12-18-8-6-7-9-19(18)16-20/h3-13,16-17,22,24H,14-15H2,1-2H3
InChIKeyGNGHQAUZLCRKON-UHFFFAOYSA-N
XLogP5.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Dimethylamino-benzyl)-naphthalen-1-ol
CID 15617858
2,2-Bis[4-(dimethylamino)phenyl]-1-phenylethanol
CID 234827
3-(4-(4-Chlorophenyl)piperazin-1-yl)-1-(naphthalen-2-yl)propan-1-ol
CID 10738599
Phenyl-[2-(4-o-tolyl-piperazin-1-ylmethyl)-phenyl]-methanol
CID 44355800
[4-(Dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanol
CID 44580866
[4-Tert-butyl-2-[3-(dimethylamino)phenyl]-6-propan-2-ylphenyl]methanol
CID 57395754
N-[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide
CID 122189397
N-[[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]methyl]-N-phenylpropanamide
CID 122189398
N-[[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-2-yl]methyl]-N-phenylpropanamide
CID 127037397
1-(4-Fluoronaphthalen-1-yl)-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-ol
CID 145950769
1-(4-Fluoronaphthalen-1-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-ol
CID 145954527
1-(4-Fluoronaphthalen-1-yl)-3-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-ol
CID 145956906

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-3-(N-propan-2-ylanilino)propan-1-ol?
The IUPAC name of 1-naphthalen-2-yl-3-(N-propan-2-ylanilino)propan-1-ol (CID 25229666) is 1-naphthalen-2-yl-3-(N-propan-2-ylanilino)propan-1-ol.
What is the SMILES notation for 1-naphthalen-2-yl-3-(N-propan-2-ylanilino)propan-1-ol?
The canonical SMILES for 1-naphthalen-2-yl-3-(N-propan-2-ylanilino)propan-1-ol is CC(C)N(CCC(O)c1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of 1-naphthalen-2-yl-3-(N-propan-2-ylanilino)propan-1-ol?
The InChIKey is GNGHQAUZLCRKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-17(2)23(21-10-4-3-5-11-21)15-14-22(24)20-13-12-18-8-6-7-9-19(18)16-20/h3-13,16-17,22,24H,14-15H2,1-2H3.
What are the key properties of 1-naphthalen-2-yl-3-(N-propan-2-ylanilino)propan-1-ol?
1-naphthalen-2-yl-3-(N-propan-2-ylanilino)propan-1-ol has a molecular weight of 319.45 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-3-(N-propan-2-ylanilino)propan-1-ol is sourced from PubChem (CID 25229666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).