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

C13H21NO2 — CID 81387138

IUPAC1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]butan-2-ol
SMILESCCC(O)CN[C@H](C)c1ccccc1OC
InChIInChI=1S/C13H21NO2/c1-4-11(15)9-14-10(2)12-7-5-6-8-13(12)16-3/h5-8,10-11,14-15H,4,9H2,1-3H3/t10-,11?/m1/s1
InChIKeyAHSYHJFPHIPYPZ-NFJWQWPMSA-N
MW223.32 g/mol
LogP2.12
Rot. Bonds6

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

1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]butan-2-ol (PubChem CID 81387138) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]butan-2-ol.

Molecular Properties

Compound Name1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]butan-2-ol
PubChem CID81387138
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]butan-2-ol
SMILESCCC(O)CN[C@H](C)c1ccccc1OC
InChIInChI=1S/C13H21NO2/c1-4-11(15)9-14-10(2)12-7-5-6-8-13(12)16-3/h5-8,10-11,14-15H,4,9H2,1-3H3/t10-,11?/m1/s1
InChIKeyAHSYHJFPHIPYPZ-NFJWQWPMSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-3-propan-2-yloxypropan-2-ol
CID 81387448
1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 81387292
1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butan-2-ol
CID 81379720
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpentan-1-amine
CID 81397104
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
(2R)-1-[1-(2-ethoxyphenyl)ethylamino]propan-2-ol
CID 103906642
1-[1-(2-methoxyphenyl)propylamino]propan-2-ol
CID 43776231
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]butan-2-ol?
The IUPAC name of 1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]butan-2-ol (CID 81387138) is 1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]butan-2-ol.
What is the SMILES notation for 1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]butan-2-ol?
The canonical SMILES for 1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]butan-2-ol is CCC(O)CN[C@H](C)c1ccccc1OC.
What is the InChIKey of 1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]butan-2-ol?
The InChIKey is AHSYHJFPHIPYPZ-NFJWQWPMSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-11(15)9-14-10(2)12-7-5-6-8-13(12)16-3/h5-8,10-11,14-15H,4,9H2,1-3H3/t10-,11?/m1/s1.
What are the key properties of 1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]butan-2-ol?
1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]butan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]butan-2-ol is sourced from PubChem (CID 81387138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).