1-[1-(2-methylphenyl)ethylamino]-3-propan-2-yloxypropan-2-ol

C15H25NO2 — CID 60632479

IUPAC1-[1-(2-methylphenyl)ethylamino]-3-propan-2-yloxypropan-2-ol
SMILESCc1ccccc1C(C)NCC(O)COC(C)C
InChIInChI=1S/C15H25NO2/c1-11(2)18-10-14(17)9-16-13(4)15-8-6-5-7-12(15)3/h5-8,11,13-14,16-17H,9-10H2,1-4H3
InChIKeyCZPWPOVPQWXUAS-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.43
Rot. Bonds7

About 1-[1-(2-methylphenyl)ethylamino]-3-propan-2-yloxypropan-2-ol

1-[1-(2-methylphenyl)ethylamino]-3-propan-2-yloxypropan-2-ol (PubChem CID 60632479) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[1-(2-methylphenyl)ethylamino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[1-(2-methylphenyl)ethylamino]-3-propan-2-yloxypropan-2-ol
PubChem CID60632479
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-[1-(2-methylphenyl)ethylamino]-3-propan-2-yloxypropan-2-ol
SMILESCc1ccccc1C(C)NCC(O)COC(C)C
InChIInChI=1S/C15H25NO2/c1-11(2)18-10-14(17)9-16-13(4)15-8-6-5-7-12(15)3/h5-8,11,13-14,16-17H,9-10H2,1-4H3
InChIKeyCZPWPOVPQWXUAS-UHFFFAOYSA-N
XLogP2.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 81374323
1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-3-propan-2-yloxypropan-2-ol
CID 81387448
1-(2-methoxyethoxy)-3-[[(1S)-1-(2-methylphenyl)ethyl]amino]propan-2-ol
CID 106990258
1-[[(1R)-1-(2-methylphenyl)ethyl]amino]propan-2-ol
CID 81375054
3-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 104881788
1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 81364457
3-methyl-N-[1-(2-methylphenyl)ethyl]-2-propan-2-ylbutan-1-amine
CID 102904031
1-[[(1S)-1-(2-bromophenyl)ethyl]amino]-3-methoxypropan-2-ol
CID 81383910
1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 81387292
1-[[(1S)-1-(3-bromophenyl)ethyl]amino]-3-propan-2-yloxypropan-2-ol
CID 81381416
1-anilino-3-propan-2-yloxypropan-2-ol
CID 2880916
(2R)-4-[[(1R)-1-(2-methylphenyl)ethyl]amino]butan-2-ol
CID 96784262

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylphenyl)ethylamino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[1-(2-methylphenyl)ethylamino]-3-propan-2-yloxypropan-2-ol (CID 60632479) is 1-[1-(2-methylphenyl)ethylamino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[1-(2-methylphenyl)ethylamino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[1-(2-methylphenyl)ethylamino]-3-propan-2-yloxypropan-2-ol is Cc1ccccc1C(C)NCC(O)COC(C)C.
What is the InChIKey of 1-[1-(2-methylphenyl)ethylamino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is CZPWPOVPQWXUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11(2)18-10-14(17)9-16-13(4)15-8-6-5-7-12(15)3/h5-8,11,13-14,16-17H,9-10H2,1-4H3.
What are the key properties of 1-[1-(2-methylphenyl)ethylamino]-3-propan-2-yloxypropan-2-ol?
1-[1-(2-methylphenyl)ethylamino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylphenyl)ethylamino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 60632479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).