(2S)-3-methyl-1-(4-methylphenoxy)butan-2-amine

C12H19NO — CID 39109844

IUPAC(2S)-3-methyl-1-(4-methylphenoxy)butan-2-amine
SMILESCc1ccc(OC[C@@H](N)C(C)C)cc1
InChIInChI=1S/C12H19NO/c1-9(2)12(13)8-14-11-6-4-10(3)5-7-11/h4-7,9,12H,8,13H2,1-3H3/t12-/m1/s1
InChIKeyMJUMPCBBGLYXQC-GFCCVEGCSA-N
MW193.29 g/mol
LogP2.36
Rot. Bonds4

About (2S)-3-methyl-1-(4-methylphenoxy)butan-2-amine

(2S)-3-methyl-1-(4-methylphenoxy)butan-2-amine (PubChem CID 39109844) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (2S)-3-methyl-1-(4-methylphenoxy)butan-2-amine.

Molecular Properties

Compound Name(2S)-3-methyl-1-(4-methylphenoxy)butan-2-amine
PubChem CID39109844
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(2S)-3-methyl-1-(4-methylphenoxy)butan-2-amine
SMILESCc1ccc(OC[C@@H](N)C(C)C)cc1
InChIInChI=1S/C12H19NO/c1-9(2)12(13)8-14-11-6-4-10(3)5-7-11/h4-7,9,12H,8,13H2,1-3H3/t12-/m1/s1
InChIKeyMJUMPCBBGLYXQC-GFCCVEGCSA-N
XLogP2.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(4-fluorophenoxy)-3-methylbutan-2-amine
CID 96818001
(2S)-3-methyl-1-(4-phenylphenoxy)butan-2-amine
CID 39109994
1-(2,5-dimethylphenoxy)-3-methylbutan-2-amine
CID 79023730
1-(3,4-difluorophenoxy)-3-methylbutan-2-amine
CID 86262545
1-(3,4-difluorophenoxy)-3-methylbutan-2-amine;hydrochloride
CID 86262544
4-methyl-2-[(4-methylphenoxy)methyl]pentan-1-amine
CID 117241951
3,3-dimethyl-2-[(4-methylphenoxy)methyl]butane-1-sulfonamide
CID 65015475
(2S)-1-(1,3-benzodioxol-5-yloxy)-3-methylbutan-2-amine
CID 82080454
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 82027704
1-(4-methylphenoxy)-3-phenylpropan-2-amine
CID 117241547
4-[1-amino-2-(4-methylphenoxy)ethyl]phenol
CID 117244673
1-methyl-4-[(2S)-2,4,4-trimethylpentoxy]benzene
CID 90455432

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-1-(4-methylphenoxy)butan-2-amine?
The IUPAC name of (2S)-3-methyl-1-(4-methylphenoxy)butan-2-amine (CID 39109844) is (2S)-3-methyl-1-(4-methylphenoxy)butan-2-amine.
What is the SMILES notation for (2S)-3-methyl-1-(4-methylphenoxy)butan-2-amine?
The canonical SMILES for (2S)-3-methyl-1-(4-methylphenoxy)butan-2-amine is Cc1ccc(OC[C@@H](N)C(C)C)cc1.
What is the InChIKey of (2S)-3-methyl-1-(4-methylphenoxy)butan-2-amine?
The InChIKey is MJUMPCBBGLYXQC-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H19NO/c1-9(2)12(13)8-14-11-6-4-10(3)5-7-11/h4-7,9,12H,8,13H2,1-3H3/t12-/m1/s1.
What are the key properties of (2S)-3-methyl-1-(4-methylphenoxy)butan-2-amine?
(2S)-3-methyl-1-(4-methylphenoxy)butan-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-1-(4-methylphenoxy)butan-2-amine is sourced from PubChem (CID 39109844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).