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

C13H21NO2 — CID 81373116

IUPAC1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]butan-2-ol
SMILESCCC(O)CN[C@H](C)c1cccc(OC)c1
InChIInChI=1S/C13H21NO2/c1-4-12(15)9-14-10(2)11-6-5-7-13(8-11)16-3/h5-8,10,12,14-15H,4,9H2,1-3H3/t10-,12?/m1/s1
InChIKeyNMHDJGPFOWYTCB-RWANSRKNSA-N
MW223.32 g/mol
LogP2.12
Rot. Bonds6

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

1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]butan-2-ol (PubChem CID 81373116) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]butan-2-ol.

Molecular Properties

Compound Name1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]butan-2-ol
PubChem CID81373116
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]butan-2-ol
SMILESCCC(O)CN[C@H](C)c1cccc(OC)c1
InChIInChI=1S/C13H21NO2/c1-4-12(15)9-14-10(2)11-6-5-7-13(8-11)16-3/h5-8,10,12,14-15H,4,9H2,1-3H3/t10-,12?/m1/s1
InChIKeyNMHDJGPFOWYTCB-RWANSRKNSA-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

ethyl 3-hydroxy-4-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoate
CID 103258076
1-N-[1-(3-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913145
3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol
CID 104881509
1-cyclopropyl-2-[1-(3-methoxyphenyl)ethylamino]ethanol
CID 63294846
N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbut-2-en-1-amine
CID 107900149
1-(3-methoxyphenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81347397
1-(2-chlorophenyl)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]ethanol
CID 81355347
2-[1-(4-ethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 111382254
3,3,3-trifluoro-N'-hydroxy-2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]propanimidamide
CID 103370044
1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]butan-2-ol
CID 113492017
1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-4-methylpentan-2-ol
CID 103779713
N-butan-2-yl-2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]acetamide
CID 81373552

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]butan-2-ol?
The IUPAC name of 1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]butan-2-ol (CID 81373116) is 1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]butan-2-ol.
What is the SMILES notation for 1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]butan-2-ol?
The canonical SMILES for 1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]butan-2-ol is CCC(O)CN[C@H](C)c1cccc(OC)c1.
What is the InChIKey of 1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]butan-2-ol?
The InChIKey is NMHDJGPFOWYTCB-RWANSRKNSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-12(15)9-14-10(2)11-6-5-7-13(8-11)16-3/h5-8,10,12,14-15H,4,9H2,1-3H3/t10-,12?/m1/s1.
What are the key properties of 1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]butan-2-ol?
1-[[(1R)-1-(3-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-(3-methoxyphenyl)ethyl]amino]butan-2-ol is sourced from PubChem (CID 81373116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).