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

C13H21NO2 — CID 104881509

IUPAC3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol
SMILESCOc1cccc([C@@H](C)NCC(C)CO)c1
InChIInChI=1S/C13H21NO2/c1-10(9-15)8-14-11(2)12-5-4-6-13(7-12)16-3/h4-7,10-11,14-15H,8-9H2,1-3H3/t10?,11-/m1/s1
InChIKeyLTZHBWWARXVJCD-RRKGBCIJSA-N
MW223.32 g/mol
LogP1.97
Rot. Bonds6

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

3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol (PubChem CID 104881509) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol
PubChem CID104881509
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol
SMILESCOc1cccc([C@@H](C)NCC(C)CO)c1
InChIInChI=1S/C13H21NO2/c1-10(9-15)8-14-11(2)12-5-4-6-13(7-12)16-3/h4-7,10-11,14-15H,8-9H2,1-3H3/t10?,11-/m1/s1
InChIKeyLTZHBWWARXVJCD-RRKGBCIJSA-N
XLogP1.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]butan-2-ol
CID 81373116
1-cyclopropyl-2-[1-(3-methoxyphenyl)ethylamino]ethanol
CID 63294846
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol
CID 78967042
1-N-[1-(3-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913145
N'-hydroxy-3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropanimidamide
CID 81373958
1-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-2-ol
CID 81373628
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
2-chloro-N-[(1R)-1-(3-methoxyphenyl)ethyl]prop-2-en-1-amine
CID 81373833
1-(3-methoxyphenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81347397
3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-phenylpropanenitrile
CID 81355239

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol?
The IUPAC name of 3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol (CID 104881509) is 3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol is COc1cccc([C@@H](C)NCC(C)CO)c1.
What is the InChIKey of 3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol?
The InChIKey is LTZHBWWARXVJCD-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(9-15)8-14-11(2)12-5-4-6-13(7-12)16-3/h4-7,10-11,14-15H,8-9H2,1-3H3/t10?,11-/m1/s1.
What are the key properties of 3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol?
3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 104881509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).