1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-3-propan-2-yloxypropan-2-ol

C15H25NO3 — CID 81387448

IUPAC1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-3-propan-2-yloxypropan-2-ol
SMILESCOc1ccccc1[C@@H](C)NCC(O)COC(C)C
InChIInChI=1S/C15H25NO3/c1-11(2)19-10-13(17)9-16-12(3)14-7-5-6-8-15(14)18-4/h5-8,11-13,16-17H,9-10H2,1-4H3/t12-,13?/m1/s1
InChIKeyQDUMLZSMYIFHOZ-PZORYLMUSA-N
MW267.37 g/mol
LogP2.13
Rot. Bonds8

About 1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-3-propan-2-yloxypropan-2-ol

1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 81387448) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-3-propan-2-yloxypropan-2-ol
PubChem CID81387448
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-3-propan-2-yloxypropan-2-ol
SMILESCOc1ccccc1[C@@H](C)NCC(O)COC(C)C
InChIInChI=1S/C15H25NO3/c1-11(2)19-10-13(17)9-16-12(3)14-7-5-6-8-15(14)18-4/h5-8,11-13,16-17H,9-10H2,1-4H3/t12-,13?/m1/s1
InChIKeyQDUMLZSMYIFHOZ-PZORYLMUSA-N
XLogP2.13
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 81387292
1-[1-(2-methylphenyl)ethylamino]-3-propan-2-yloxypropan-2-ol
CID 60632479
1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]butan-2-ol
CID 81387138
1-[1-(3,4-dimethoxyphenyl)ethylamino]-3-propan-2-yloxypropan-2-ol
CID 61172596
methyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 81387841
methyl 3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 81387774
4-[1-(2-methoxyphenyl)ethylamino]-3-methylbutan-1-ol
CID 66092261
(2R)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylsulfanylpropan-1-amine
CID 97107440
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylpropan-1-amine
CID 81397712
1-[[(1S)-1-(2-bromophenyl)ethyl]amino]-3-methoxypropan-2-ol
CID 81383910
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpentan-1-amine
CID 81397104
2-amino-3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanamide
CID 103257726

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-3-propan-2-yloxypropan-2-ol (CID 81387448) is 1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-3-propan-2-yloxypropan-2-ol is COc1ccccc1[C@@H](C)NCC(O)COC(C)C.
What is the InChIKey of 1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is QDUMLZSMYIFHOZ-PZORYLMUSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11(2)19-10-13(17)9-16-12(3)14-7-5-6-8-15(14)18-4/h5-8,11-13,16-17H,9-10H2,1-4H3/t12-,13?/m1/s1.
What are the key properties of 1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-3-propan-2-yloxypropan-2-ol?
1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 2.13, 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-methoxyphenyl)ethyl]amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 81387448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).