(2S)-1-[3-(methoxymethyl)anilino]propan-2-ol

C11H17NO2 — CID 106931972

IUPAC(2S)-1-[3-(methoxymethyl)anilino]propan-2-ol
SMILESCOCc1cccc(NC[C@H](C)O)c1
InChIInChI=1S/C11H17NO2/c1-9(13)7-12-11-5-3-4-10(6-11)8-14-2/h3-6,9,12-13H,7-8H2,1-2H3/t9-/m0/s1
InChIKeyRCODJRXXNUZZCI-VIFPVBQESA-N
MW195.26 g/mol
LogP1.63
Rot. Bonds5

About (2S)-1-[3-(methoxymethyl)anilino]propan-2-ol

(2S)-1-[3-(methoxymethyl)anilino]propan-2-ol (PubChem CID 106931972) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (2S)-1-[3-(methoxymethyl)anilino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[3-(methoxymethyl)anilino]propan-2-ol
PubChem CID106931972
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(2S)-1-[3-(methoxymethyl)anilino]propan-2-ol
SMILESCOCc1cccc(NC[C@H](C)O)c1
InChIInChI=1S/C11H17NO2/c1-9(13)7-12-11-5-3-4-10(6-11)8-14-2/h3-6,9,12-13H,7-8H2,1-2H3/t9-/m0/s1
InChIKeyRCODJRXXNUZZCI-VIFPVBQESA-N
XLogP1.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-bromo-3-[3-(methoxymethyl)anilino]propanoate
CID 103245977
2-[3-[[(2S)-2-hydroxypropyl]amino]phenyl]acetonitrile
CID 126987104
N-benzyl-3-(methoxymethyl)aniline
CID 43672166
(2S)-1-(3-methylanilino)propan-2-ol
CID 39236026
(2R)-1-(3-methylanilino)propan-2-ol
CID 39236024
N-(2,3-dichloroprop-2-enyl)-3-(methoxymethyl)aniline
CID 79167544
3-(methoxymethyl)-N-methylaniline
CID 23080905
tert-butyl N-[[3-(2-hydroxypropylamino)phenyl]methyl]carbamate
CID 82539760
(2R)-1-(3-chloroanilino)propan-2-ol
CID 39237835
3-(methoxymethyl)-N-(1-methoxypropan-2-yl)aniline
CID 62534298
3-(methoxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)aniline
CID 43672004
2-hydroxy-3-[3-(methoxymethyl)anilino]-2-methylpropanoic acid
CID 104644204

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(methoxymethyl)anilino]propan-2-ol?
The IUPAC name of (2S)-1-[3-(methoxymethyl)anilino]propan-2-ol (CID 106931972) is (2S)-1-[3-(methoxymethyl)anilino]propan-2-ol.
What is the SMILES notation for (2S)-1-[3-(methoxymethyl)anilino]propan-2-ol?
The canonical SMILES for (2S)-1-[3-(methoxymethyl)anilino]propan-2-ol is COCc1cccc(NC[C@H](C)O)c1.
What is the InChIKey of (2S)-1-[3-(methoxymethyl)anilino]propan-2-ol?
The InChIKey is RCODJRXXNUZZCI-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17NO2/c1-9(13)7-12-11-5-3-4-10(6-11)8-14-2/h3-6,9,12-13H,7-8H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-1-[3-(methoxymethyl)anilino]propan-2-ol?
(2S)-1-[3-(methoxymethyl)anilino]propan-2-ol has a molecular weight of 195.26 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(methoxymethyl)anilino]propan-2-ol is sourced from PubChem (CID 106931972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).