(2R,3R)-3-(3-methylanilino)butan-2-ol

C11H17NO — CID 25072640

IUPAC(2R,3R)-3-(3-methylanilino)butan-2-ol
SMILESCc1cccc(N[C@H](C)[C@@H](C)O)c1
InChIInChI=1S/C11H17NO/c1-8-5-4-6-11(7-8)12-9(2)10(3)13/h4-7,9-10,12-13H,1-3H3/t9-,10-/m1/s1
InChIKeyMVBOTDCSPMLDKV-NXEZZACHSA-N
MW179.26 g/mol
LogP2.18
Rot. Bonds3

About (2R,3R)-3-(3-methylanilino)butan-2-ol

(2R,3R)-3-(3-methylanilino)butan-2-ol (PubChem CID 25072640) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (2R,3R)-3-(3-methylanilino)butan-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-(3-methylanilino)butan-2-ol
PubChem CID25072640
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(2R,3R)-3-(3-methylanilino)butan-2-ol
SMILESCc1cccc(N[C@H](C)[C@@H](C)O)c1
InChIInChI=1S/C11H17NO/c1-8-5-4-6-11(7-8)12-9(2)10(3)13/h4-7,9-10,12-13H,1-3H3/t9-,10-/m1/s1
InChIKeyMVBOTDCSPMLDKV-NXEZZACHSA-N
XLogP2.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-anilinobutan-2-ol
CID 13494330
(2S)-2-(3-methylanilino)propanoic acid
CID 7148356
(2S)-1-(3-methylanilino)propan-2-ol
CID 39236026
(2R)-1-(3-methylanilino)propan-2-ol
CID 39236024
N,N-dimethyl-2-(3-methylanilino)propanamide
CID 43085843
(4R)-4-(3-methylanilino)pentan-1-ol
CID 94830689
ethyl (2R)-2-(3-methylanilino)propanoate
CID 102078711
3-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline
CID 43363069
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 43189724
2-(3-methylanilino)-2-(3-methylphenyl)ethanol
CID 61050180
N-(1,3-dimethoxypropan-2-yl)-3-methylaniline
CID 13275408
ethyl 3-methyl-2-(3-methylanilino)butanoate
CID 61318293

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(3-methylanilino)butan-2-ol?
The IUPAC name of (2R,3R)-3-(3-methylanilino)butan-2-ol (CID 25072640) is (2R,3R)-3-(3-methylanilino)butan-2-ol.
What is the SMILES notation for (2R,3R)-3-(3-methylanilino)butan-2-ol?
The canonical SMILES for (2R,3R)-3-(3-methylanilino)butan-2-ol is Cc1cccc(N[C@H](C)[C@@H](C)O)c1.
What is the InChIKey of (2R,3R)-3-(3-methylanilino)butan-2-ol?
The InChIKey is MVBOTDCSPMLDKV-NXEZZACHSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-5-4-6-11(7-8)12-9(2)10(3)13/h4-7,9-10,12-13H,1-3H3/t9-,10-/m1/s1.
What are the key properties of (2R,3R)-3-(3-methylanilino)butan-2-ol?
(2R,3R)-3-(3-methylanilino)butan-2-ol has a molecular weight of 179.26 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(3-methylanilino)butan-2-ol is sourced from PubChem (CID 25072640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).