1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-phenoxypropan-2-ol

C20H27NO3 — CID 15461660

IUPAC1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-phenoxypropan-2-ol
SMILESCOc1ccc(CC(C)(C)NCC(O)COc2ccccc2)cc1
InChIInChI=1S/C20H27NO3/c1-20(2,13-16-9-11-18(23-3)12-10-16)21-14-17(22)15-24-19-7-5-4-6-8-19/h4-12,17,21-22H,13-15H2,1-3H3
InChIKeyCVLQHWXSSKFZAF-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.05
Rot. Bonds9

About 1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-phenoxypropan-2-ol

1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-phenoxypropan-2-ol (PubChem CID 15461660) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-phenoxypropan-2-ol
PubChem CID15461660
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-phenoxypropan-2-ol
SMILESCOc1ccc(CC(C)(C)NCC(O)COc2ccccc2)cc1
InChIInChI=1S/C20H27NO3/c1-20(2,13-16-9-11-18(23-3)12-10-16)21-14-17(22)15-24-19-7-5-4-6-8-19/h4-12,17,21-22H,13-15H2,1-3H3
InChIKeyCVLQHWXSSKFZAF-UHFFFAOYSA-N
XLogP3.05
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-phenoxypropan-2-ol?
The IUPAC name of 1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-phenoxypropan-2-ol (CID 15461660) is 1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-phenoxypropan-2-ol is COc1ccc(CC(C)(C)NCC(O)COc2ccccc2)cc1.
What is the InChIKey of 1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-phenoxypropan-2-ol?
The InChIKey is CVLQHWXSSKFZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-20(2,13-16-9-11-18(23-3)12-10-16)21-14-17(22)15-24-19-7-5-4-6-8-19/h4-12,17,21-22H,13-15H2,1-3H3.
What are the key properties of 1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-phenoxypropan-2-ol?
1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-phenoxypropan-2-ol has a molecular weight of 329.44 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 15461660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).