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

C16H27NO2 — CID 81374323

IUPAC1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
SMILESCc1ccccc1[C@@H](C)NCC(O)COCC(C)C
InChIInChI=1S/C16H27NO2/c1-12(2)10-19-11-15(18)9-17-14(4)16-8-6-5-7-13(16)3/h5-8,12,14-15,17-18H,9-11H2,1-4H3/t14-,15?/m1/s1
InChIKeyWLZKDJHQIGOABH-GICMACPYSA-N
MW265.40 g/mol
LogP2.68
Rot. Bonds8

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

1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol (PubChem CID 81374323) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol.

Molecular Properties

Compound Name1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
PubChem CID81374323
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
SMILESCc1ccccc1[C@@H](C)NCC(O)COCC(C)C
InChIInChI=1S/C16H27NO2/c1-12(2)10-19-11-15(18)9-17-14(4)16-8-6-5-7-13(16)3/h5-8,12,14-15,17-18H,9-11H2,1-4H3/t14-,15?/m1/s1
InChIKeyWLZKDJHQIGOABH-GICMACPYSA-N
XLogP2.68
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyethoxy)-3-[[(1S)-1-(2-methylphenyl)ethyl]amino]propan-2-ol
CID 106990258
1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 81379953
1-[1-(2-methylphenyl)ethylamino]-3-propan-2-yloxypropan-2-ol
CID 60632479
1-[[(1R)-1-(2-methylphenyl)ethyl]amino]propan-2-ol
CID 81375054
1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 81364457
1-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 81355468
3-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 104881788
1-(2,6-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol
CID 55061574
1-(2-methylpropoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408465
1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 81348160
3-methyl-N-[1-(2-methylphenyl)ethyl]-2-propan-2-ylbutan-1-amine
CID 102904031
1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 79101367

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol?
The IUPAC name of 1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol (CID 81374323) is 1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol.
What is the SMILES notation for 1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol?
The canonical SMILES for 1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol is Cc1ccccc1[C@@H](C)NCC(O)COCC(C)C.
What is the InChIKey of 1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol?
The InChIKey is WLZKDJHQIGOABH-GICMACPYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12(2)10-19-11-15(18)9-17-14(4)16-8-6-5-7-13(16)3/h5-8,12,14-15,17-18H,9-11H2,1-4H3/t14-,15?/m1/s1.
What are the key properties of 1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol?
1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol is sourced from PubChem (CID 81374323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).