(3S)-4-anilino-3-(methylamino)butan-1-ol

C11H18N2O — CID 13023608

IUPAC(3S)-4-anilino-3-(methylamino)butan-1-ol
SMILESCN[C@@H](CCO)CNc1ccccc1
InChIInChI=1S/C11H18N2O/c1-12-11(7-8-14)9-13-10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11-/m0/s1
InChIKeyAIBOXGBLHQZDGN-NSHDSACASA-N
MW194.28 g/mol
LogP1.07
Rot. Bonds6

About (3S)-4-anilino-3-(methylamino)butan-1-ol

(3S)-4-anilino-3-(methylamino)butan-1-ol (PubChem CID 13023608) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (3S)-4-anilino-3-(methylamino)butan-1-ol.

Molecular Properties

Compound Name(3S)-4-anilino-3-(methylamino)butan-1-ol
PubChem CID13023608
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(3S)-4-anilino-3-(methylamino)butan-1-ol
SMILESCN[C@@H](CCO)CNc1ccccc1
InChIInChI=1S/C11H18N2O/c1-12-11(7-8-14)9-13-10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11-/m0/s1
InChIKeyAIBOXGBLHQZDGN-NSHDSACASA-N
XLogP1.07
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-anilino-3-(methylamino)butan-1-ol?
The IUPAC name of (3S)-4-anilino-3-(methylamino)butan-1-ol (CID 13023608) is (3S)-4-anilino-3-(methylamino)butan-1-ol.
What is the SMILES notation for (3S)-4-anilino-3-(methylamino)butan-1-ol?
The canonical SMILES for (3S)-4-anilino-3-(methylamino)butan-1-ol is CN[C@@H](CCO)CNc1ccccc1.
What is the InChIKey of (3S)-4-anilino-3-(methylamino)butan-1-ol?
The InChIKey is AIBOXGBLHQZDGN-NSHDSACASA-N. The full InChI is InChI=1S/C11H18N2O/c1-12-11(7-8-14)9-13-10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11-/m0/s1.
What are the key properties of (3S)-4-anilino-3-(methylamino)butan-1-ol?
(3S)-4-anilino-3-(methylamino)butan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-anilino-3-(methylamino)butan-1-ol is sourced from PubChem (CID 13023608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).