1-[(2-methyl-1-phenylpropan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol

C23H27NO2 — CID 22640874

IUPAC1-[(2-methyl-1-phenylpropan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol
SMILESCC(C)(Cc1ccccc1)NCC(O)COc1cccc2ccccc12
InChIInChI=1S/C23H27NO2/c1-23(2,15-18-9-4-3-5-10-18)24-16-20(25)17-26-22-14-8-12-19-11-6-7-13-21(19)22/h3-14,20,24-25H,15-17H2,1-2H3
InChIKeyBMTRWCYCWZQZJF-UHFFFAOYSA-N
MW349.47 g/mol
LogP4.19
Rot. Bonds8

About 1-[(2-methyl-1-phenylpropan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol

1-[(2-methyl-1-phenylpropan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol (PubChem CID 22640874) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is 1-[(2-methyl-1-phenylpropan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[(2-methyl-1-phenylpropan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol
PubChem CID22640874
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name1-[(2-methyl-1-phenylpropan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol
SMILESCC(C)(Cc1ccccc1)NCC(O)COc1cccc2ccccc12
InChIInChI=1S/C23H27NO2/c1-23(2,15-18-9-4-3-5-10-18)24-16-20(25)17-26-22-14-8-12-19-11-6-7-13-21(19)22/h3-14,20,24-25H,15-17H2,1-2H3
InChIKeyBMTRWCYCWZQZJF-UHFFFAOYSA-N
XLogP4.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
CID 59040452
1-naphthalen-1-yloxy-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol
CID 3076139
1-[2-(2-methoxyethoxymethyl)phenoxy]-3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-2-ol
CID 23471045
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
1-(2-chlorophenoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride
CID 22640862
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
1-naphthalen-1-yloxy-4-(propan-2-ylamino)butan-2-ol;hydrochloride
CID 13120361
1-chloroethyl 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-2-methylpropanoate
CID 70405843
4-[2-[[2-hydroxy-3-(2-propylphenoxy)propyl]amino]-2-methylpropyl]phenol
CID 21312383
1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 70482185
N-(2-hydroxy-3-naphthalen-1-yloxypropyl)ethanethioamide
CID 134858225

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1-phenylpropan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol?
The IUPAC name of 1-[(2-methyl-1-phenylpropan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol (CID 22640874) is 1-[(2-methyl-1-phenylpropan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol.
What is the SMILES notation for 1-[(2-methyl-1-phenylpropan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol?
The canonical SMILES for 1-[(2-methyl-1-phenylpropan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol is CC(C)(Cc1ccccc1)NCC(O)COc1cccc2ccccc12.
What is the InChIKey of 1-[(2-methyl-1-phenylpropan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol?
The InChIKey is BMTRWCYCWZQZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-23(2,15-18-9-4-3-5-10-18)24-16-20(25)17-26-22-14-8-12-19-11-6-7-13-21(19)22/h3-14,20,24-25H,15-17H2,1-2H3.
What are the key properties of 1-[(2-methyl-1-phenylpropan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol?
1-[(2-methyl-1-phenylpropan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol has a molecular weight of 349.47 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1-phenylpropan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol is sourced from PubChem (CID 22640874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).