(2R)-1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol

C24H29NO3 — CID 59040452

IUPAC(2R)-1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
SMILESCOc1ccc(CC(C)(C)NC[C@@H](O)COc2cccc3ccccc23)cc1
InChIInChI=1S/C24H29NO3/c1-24(2,15-18-11-13-21(27-3)14-12-18)25-16-20(26)17-28-23-10-6-8-19-7-4-5-9-22(19)23/h4-14,20,25-26H,15-17H2,1-3H3/t20-/m1/s1
InChIKeyDNPLKAPMAGXXOP-HXUWFJFHSA-N
MW379.50 g/mol
LogP4.20
Rot. Bonds9

About (2R)-1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol

(2R)-1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol (PubChem CID 59040452) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is (2R)-1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
PubChem CID59040452
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Name(2R)-1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
SMILESCOc1ccc(CC(C)(C)NC[C@@H](O)COc2cccc3ccccc23)cc1
InChIInChI=1S/C24H29NO3/c1-24(2,15-18-11-13-21(27-3)14-12-18)25-16-20(26)17-28-23-10-6-8-19-7-4-5-9-22(19)23/h4-14,20,25-26H,15-17H2,1-3H3/t20-/m1/s1
InChIKeyDNPLKAPMAGXXOP-HXUWFJFHSA-N
XLogP4.20
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol with MolForge

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Related Compounds

1-[(2-methyl-1-phenylpropan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 22640874
1-(2-chlorophenoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride
CID 22640862
1-(1,3-benzodioxol-4-yloxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol
CID 22957856
1-naphthalen-1-yloxy-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol
CID 3076139
1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-(4-methylphenoxy)propan-2-ol;hydrochloride
CID 22640931
1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-propan-2-yloxypropan-2-ol
CID 22640903
1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-(4-propylphenoxy)propan-2-ol;hydrochloride
CID 22640809
(2S)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propane-1,2-diol
CID 70597929
(2S)-1-(4-hexoxyphenoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol
CID 10296289
1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-4-phenylbutan-2-ol
CID 22640950
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
4-[2-[[2-hydroxy-3-(2-propylphenoxy)propyl]amino]-2-methylpropyl]phenol
CID 21312383

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol?
The IUPAC name of (2R)-1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol (CID 59040452) is (2R)-1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol.
What is the SMILES notation for (2R)-1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol?
The canonical SMILES for (2R)-1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol is COc1ccc(CC(C)(C)NC[C@@H](O)COc2cccc3ccccc23)cc1.
What is the InChIKey of (2R)-1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol?
The InChIKey is DNPLKAPMAGXXOP-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H29NO3/c1-24(2,15-18-11-13-21(27-3)14-12-18)25-16-20(26)17-28-23-10-6-8-19-7-4-5-9-22(19)23/h4-14,20,25-26H,15-17H2,1-3H3/t20-/m1/s1.
What are the key properties of (2R)-1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol?
(2R)-1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol has a molecular weight of 379.50 g/mol, XLogP of 4.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol is sourced from PubChem (CID 59040452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).