1-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol

C19H29NO3 — CID 110891658

IUPAC1-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol
SMILESCc1ccc(OCC(O)CN(CC2CCOC2)C2CC2)c(C)c1
InChIInChI=1S/C19H29NO3/c1-14-3-6-19(15(2)9-14)23-13-18(21)11-20(17-4-5-17)10-16-7-8-22-12-16/h3,6,9,16-18,21H,4-5,7-8,10-13H2,1-2H3
InChIKeyRVPJCJHKBISKJU-UHFFFAOYSA-N
MW319.44 g/mol
LogP2.54
Rot. Bonds8

About 1-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol

1-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol (PubChem CID 110891658) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is 1-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol
PubChem CID110891658
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name1-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol
SMILESCc1ccc(OCC(O)CN(CC2CCOC2)C2CC2)c(C)c1
InChIInChI=1S/C19H29NO3/c1-14-3-6-19(15(2)9-14)23-13-18(21)11-20(17-4-5-17)10-16-7-8-22-12-16/h3,6,9,16-18,21H,4-5,7-8,10-13H2,1-2H3
InChIKeyRVPJCJHKBISKJU-UHFFFAOYSA-N
XLogP2.54
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[cyclohexyl(ethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol chloride
CID 21237610
2-[cyclopentyl-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]acetamide
CID 110902009
2-(2,4-dimethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753451
(2R)-1-(2,4-dimethylphenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 39767536
(2S)-1-(2,4-dimethylphenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 39767533
(2S)-1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93163790
2-(2,4-dimethylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104748375
1-(2,4-dimethylphenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol
CID 111107864
2-(2,4-dimethylphenoxy)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104748373
1-bromo-3-(2,4-dimethylphenoxy)propan-2-ol
CID 112560473
3-[(2,4-dimethylphenoxy)methyl]oxetane
CID 116820131
(1R)-1-(2,5-dimethylphenyl)-2-[ethyl-[[(3R)-oxolan-3-yl]methyl]amino]ethanol
CID 96519387

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol?
The IUPAC name of 1-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol (CID 110891658) is 1-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol?
The canonical SMILES for 1-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol is Cc1ccc(OCC(O)CN(CC2CCOC2)C2CC2)c(C)c1.
What is the InChIKey of 1-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol?
The InChIKey is RVPJCJHKBISKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-14-3-6-19(15(2)9-14)23-13-18(21)11-20(17-4-5-17)10-16-7-8-22-12-16/h3,6,9,16-18,21H,4-5,7-8,10-13H2,1-2H3.
What are the key properties of 1-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol?
1-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol has a molecular weight of 319.44 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol is sourced from PubChem (CID 110891658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).