(2R)-1-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol

C18H31NO3 — CID 93160531

IUPAC(2R)-1-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCOc1ccc(CN(CC(C)C)C[C@@H](O)COC(C)C)cc1
InChIInChI=1S/C18H31NO3/c1-14(2)10-19(12-17(20)13-22-15(3)4)11-16-6-8-18(21-5)9-7-16/h6-9,14-15,17,20H,10-13H2,1-5H3/t17-/m1/s1
InChIKeyXSWRQYZUUNWDCR-QGZVFWFLSA-N
MW309.45 g/mol
LogP2.94
Rot. Bonds10

About (2R)-1-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol

(2R)-1-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 93160531) has the molecular formula C18H31NO3 and a molecular weight of 309.45 g/mol. Its IUPAC name is (2R)-1-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
PubChem CID93160531
Molecular FormulaC18H31NO3
Molecular Weight309.45 g/mol
Exact Mass309.23
IUPAC Name(2R)-1-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCOc1ccc(CN(CC(C)C)C[C@@H](O)COC(C)C)cc1
InChIInChI=1S/C18H31NO3/c1-14(2)10-19(12-17(20)13-22-15(3)4)11-16-6-8-18(21-5)9-7-16/h6-9,14-15,17,20H,10-13H2,1-5H3/t17-/m1/s1
InChIKeyXSWRQYZUUNWDCR-QGZVFWFLSA-N
XLogP2.94
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]-3-phenoxypropan-2-ol
CID 93160526
[2-hydroxy-3-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]propyl] butanoate
CID 42836939
1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 24714107
(2R)-1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 93163972
(2S)-1-[(3,4-dimethoxyphenyl)methyl-(2-methylpropyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 93160834
(2R)-1-[(4-methoxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 93160616
1-[bis[(4-fluorophenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 46007666
(2S)-1-[(4-methoxyphenyl)methyl-(3-methylbutyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 93160644
1-[bis(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 60752269
1-[benzyl-[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 132585802
1-[(2,3-dimethoxyphenyl)methyl-(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 24713651
(2R)-1-[(2,3-dimethoxyphenyl)methyl-(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 93161532

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of (2R)-1-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol (CID 93160531) is (2R)-1-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for (2R)-1-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for (2R)-1-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol is COc1ccc(CN(CC(C)C)C[C@@H](O)COC(C)C)cc1.
What is the InChIKey of (2R)-1-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is XSWRQYZUUNWDCR-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H31NO3/c1-14(2)10-19(12-17(20)13-22-15(3)4)11-16-6-8-18(21-5)9-7-16/h6-9,14-15,17,20H,10-13H2,1-5H3/t17-/m1/s1.
What are the key properties of (2R)-1-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol?
(2R)-1-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 309.45 g/mol, XLogP of 2.94, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 93160531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).