1-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol

C20H33NO3 — CID 78839356

IUPAC1-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
SMILESCCc1ccc(C(NCC(O)COCC2CCCO2)C(C)C)cc1
InChIInChI=1S/C20H33NO3/c1-4-16-7-9-17(10-8-16)20(15(2)3)21-12-18(22)13-23-14-19-6-5-11-24-19/h7-10,15,18-22H,4-6,11-14H2,1-3H3
InChIKeyDURGNLJGSKQSMT-UHFFFAOYSA-N
MW335.49 g/mol
LogP3.09
Rot. Bonds10

About 1-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol

1-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol (PubChem CID 78839356) has the molecular formula C20H33NO3 and a molecular weight of 335.49 g/mol. Its IUPAC name is 1-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
PubChem CID78839356
Molecular FormulaC20H33NO3
Molecular Weight335.49 g/mol
Exact Mass335.25
IUPAC Name1-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
SMILESCCc1ccc(C(NCC(O)COCC2CCCO2)C(C)C)cc1
InChIInChI=1S/C20H33NO3/c1-4-16-7-9-17(10-8-16)20(15(2)3)21-12-18(22)13-23-14-19-6-5-11-24-19/h7-10,15,18-22H,4-6,11-14H2,1-3H3
InChIKeyDURGNLJGSKQSMT-UHFFFAOYSA-N
XLogP3.09
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 81355892
1-[1-(furan-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 54938663
1-[1-(5-methylfuran-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 61040225
1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 81364457
1-[1-(3-bromophenyl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60746205
3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]butan-1-ol
CID 83177777
1-[1-(5-methylthiophen-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 61473596
2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N-methylpropanamide
CID 54950771
3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-2-methylsulfanylbutan-1-ol
CID 106160886
1-(oxolan-2-ylmethoxy)-3-(1-piperidin-1-ylpropan-2-ylamino)propan-2-ol
CID 61499940
1-(4-bromo-2-ethylanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 81288502
1-[(4-ethylcyclohexyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60970222

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol (CID 78839356) is 1-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol is CCc1ccc(C(NCC(O)COCC2CCCO2)C(C)C)cc1.
What is the InChIKey of 1-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol?
The InChIKey is DURGNLJGSKQSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO3/c1-4-16-7-9-17(10-8-16)20(15(2)3)21-12-18(22)13-23-14-19-6-5-11-24-19/h7-10,15,18-22H,4-6,11-14H2,1-3H3.
What are the key properties of 1-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol?
1-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol has a molecular weight of 335.49 g/mol, XLogP of 3.09, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 78839356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).