1-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-2-ol

C13H21NO2 — CID 81373628

IUPAC1-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-2-ol
SMILESCOc1cccc([C@H](C)NCC(C)(C)O)c1
InChIInChI=1S/C13H21NO2/c1-10(14-9-13(2,3)15)11-6-5-7-12(8-11)16-4/h5-8,10,14-15H,9H2,1-4H3/t10-/m0/s1
InChIKeyRYFCGTDZZGZKSY-JTQLQIEISA-N
MW223.32 g/mol
LogP2.12
Rot. Bonds5

About 1-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-2-ol

1-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-2-ol (PubChem CID 81373628) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-2-ol
PubChem CID81373628
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-2-ol
SMILESCOc1cccc([C@H](C)NCC(C)(C)O)c1
InChIInChI=1S/C13H21NO2/c1-10(14-9-13(2,3)15)11-6-5-7-12(8-11)16-4/h5-8,10,14-15H,9H2,1-4H3/t10-/m0/s1
InChIKeyRYFCGTDZZGZKSY-JTQLQIEISA-N
XLogP2.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol
CID 104881509
N-tert-butyl-3-[1-(3-methoxyphenyl)ethylamino]propanamide
CID 115676858
N-[(1R)-1-(3-methoxyphenyl)ethyl]but-2-yn-1-amine
CID 81372969
N-[1-(3-methoxyphenyl)ethyl]-3-methylbutan-1-amine
CID 43193047
N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbut-2-en-1-amine
CID 107900149
1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]butan-2-ol
CID 81373116
2-chloro-N-[(1R)-1-(3-methoxyphenyl)ethyl]prop-2-en-1-amine
CID 81373833
1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 65103428
1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 63239724
1-N-[1-(3-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913145
4-[[1-(3-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 106126753
tert-butyl N-[3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]propyl]carbamate
CID 103821967

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-2-ol (CID 81373628) is 1-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-2-ol is COc1cccc([C@H](C)NCC(C)(C)O)c1.
What is the InChIKey of 1-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-2-ol?
The InChIKey is RYFCGTDZZGZKSY-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(14-9-13(2,3)15)11-6-5-7-12(8-11)16-4/h5-8,10,14-15H,9H2,1-4H3/t10-/m0/s1.
What are the key properties of 1-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-2-ol?
1-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 81373628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).