1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol

C17H27NO3 — CID 81364457

IUPAC1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
SMILESCc1ccccc1[C@@H](C)NCC(O)COCC1CCCO1
InChIInChI=1S/C17H27NO3/c1-13-6-3-4-8-17(13)14(2)18-10-15(19)11-20-12-16-7-5-9-21-16/h3-4,6,8,14-16,18-19H,5,7,9-12H2,1-2H3/t14-,15?,16?/m1/s1
InChIKeyGBWAEDJCFXYUAH-QQFBHYJXSA-N
MW293.41 g/mol
LogP2.20
Rot. Bonds8

About 1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol

1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol (PubChem CID 81364457) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
PubChem CID81364457
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
SMILESCc1ccccc1[C@@H](C)NCC(O)COCC1CCCO1
InChIInChI=1S/C17H27NO3/c1-13-6-3-4-8-17(13)14(2)18-10-15(19)11-20-12-16-7-5-9-21-16/h3-4,6,8,14-16,18-19H,5,7,9-12H2,1-2H3/t14-,15?,16?/m1/s1
InChIKeyGBWAEDJCFXYUAH-QQFBHYJXSA-N
XLogP2.20
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol with MolForge

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Related Compounds

1-[1-(5-methylfuran-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 61040225
1-[1-(furan-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 54938663
1-[1-(5-methylthiophen-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 61473596
1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 81355892
1-[1-(3-bromophenyl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60746205
1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 81374323
3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]butan-1-ol
CID 83177777
1-(2-methoxyethoxy)-3-[[(1S)-1-(2-methylphenyl)ethyl]amino]propan-2-ol
CID 106990258
1-(2,6-difluoro-3-methylanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 82801882
1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54940082
1-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 78839356
1-(2-bromoanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60896835

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol (CID 81364457) is 1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol is Cc1ccccc1[C@@H](C)NCC(O)COCC1CCCO1.
What is the InChIKey of 1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol?
The InChIKey is GBWAEDJCFXYUAH-QQFBHYJXSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13-6-3-4-8-17(13)14(2)18-10-15(19)11-20-12-16-7-5-9-21-16/h3-4,6,8,14-16,18-19H,5,7,9-12H2,1-2H3/t14-,15?,16?/m1/s1.
What are the key properties of 1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol?
1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol has a molecular weight of 293.41 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 81364457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).