2-(4-methoxy-3-methylphenyl)butan-2-amine

C12H19NO — CID 82469033

IUPAC2-(4-methoxy-3-methylphenyl)butan-2-amine
SMILESCCC(C)(N)c1ccc(OC)c(C)c1
InChIInChI=1S/C12H19NO/c1-5-12(3,13)10-6-7-11(14-4)9(2)8-10/h6-8H,5,13H2,1-4H3
InChIKeyXHDBVRSLDBDXLD-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.59
Rot. Bonds3

About 2-(4-methoxy-3-methylphenyl)butan-2-amine

2-(4-methoxy-3-methylphenyl)butan-2-amine (PubChem CID 82469033) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)butan-2-amine
PubChem CID82469033
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(4-methoxy-3-methylphenyl)butan-2-amine
SMILESCCC(C)(N)c1ccc(OC)c(C)c1
InChIInChI=1S/C12H19NO/c1-5-12(3,13)10-6-7-11(14-4)9(2)8-10/h6-8H,5,13H2,1-4H3
InChIKeyXHDBVRSLDBDXLD-UHFFFAOYSA-N
XLogP2.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(difluoromethyl)-4-methoxyphenyl]butan-2-amine
CID 165350561
4-amino-4-(4-methoxy-3-methylphenyl)pentan-1-ol
CID 116861674
(2R)-2-(4-methoxy-3-methylphenyl)butan-2-ol
CID 97294196
2-amino-2-(4-methoxy-3-methylphenyl)propanoic acid
CID 82098466
4-[(2R)-2-aminobutan-2-yl]-2-methylphenol
CID 131037914
2-(4-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82125771
2-(4-fluoro-3-methylphenyl)butan-2-amine
CID 62791443
(2R)-2-(4-methoxy-3-methylphenyl)pentan-2-ol
CID 97294322
1-methoxy-4-(2-methoxypropan-2-yl)-2-methylbenzene
CID 20723728
1-(4-methoxy-3-methylphenyl)propane-2,2-diamine
CID 166666114
3-amino-3-(3-ethyl-4-methoxyphenyl)butanoic acid
CID 82291919
1-methoxy-4-[2-(4-methoxy-3-methylphenyl)decan-2-yl]-2-methylbenzene
CID 171057442

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)butan-2-amine?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)butan-2-amine (CID 82469033) is 2-(4-methoxy-3-methylphenyl)butan-2-amine.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)butan-2-amine?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)butan-2-amine is CCC(C)(N)c1ccc(OC)c(C)c1.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)butan-2-amine?
The InChIKey is XHDBVRSLDBDXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-5-12(3,13)10-6-7-11(14-4)9(2)8-10/h6-8H,5,13H2,1-4H3.
What are the key properties of 2-(4-methoxy-3-methylphenyl)butan-2-amine?
2-(4-methoxy-3-methylphenyl)butan-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)butan-2-amine is sourced from PubChem (CID 82469033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).