2-(2-methoxy-4-methylphenyl)-3-methylbutan-1-amine

C13H21NO — CID 82395562

IUPAC2-(2-methoxy-4-methylphenyl)-3-methylbutan-1-amine
SMILESCOc1cc(C)ccc1C(CN)C(C)C
InChIInChI=1S/C13H21NO/c1-9(2)12(8-14)11-6-5-10(3)7-13(11)15-4/h5-7,9,12H,8,14H2,1-4H3
InChIKeyXPTFEFFKVQMPFB-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.70
Rot. Bonds4

About 2-(2-methoxy-4-methylphenyl)-3-methylbutan-1-amine

2-(2-methoxy-4-methylphenyl)-3-methylbutan-1-amine (PubChem CID 82395562) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylphenyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(2-methoxy-4-methylphenyl)-3-methylbutan-1-amine
PubChem CID82395562
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(2-methoxy-4-methylphenyl)-3-methylbutan-1-amine
SMILESCOc1cc(C)ccc1C(CN)C(C)C
InChIInChI=1S/C13H21NO/c1-9(2)12(8-14)11-6-5-10(3)7-13(11)15-4/h5-7,9,12H,8,14H2,1-4H3
InChIKeyXPTFEFFKVQMPFB-UHFFFAOYSA-N
XLogP2.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-(2-methoxy-4-methylphenyl)butan-2-ol
CID 83909356
3-amino-1-(2-methoxy-4-methylphenyl)propane-1,2-diol
CID 170827970
1-(2-methoxy-4-methylphenyl)ethanamine;hydrochloride
CID 127021057
2-(2-methoxy-4-methylphenyl)propan-1-ol
CID 14432753
2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine
CID 82078103
2-(7-methoxy-5-methyl-1H-indol-3-yl)-3-methylbutan-1-amine
CID 82498302
2-(1-chloro-3-methylbutan-2-yl)-1-methoxy-4-methylbenzene
CID 82081064
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylbutan-2-amine
CID 43773913
3-amino-1-cyclopropyl-2-(2-methoxy-5-methylphenyl)propan-1-ol
CID 65185180
2-[fluoro-(2-methoxy-5-methylphenyl)methyl]-3-methylbutan-1-amine
CID 107443810
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904386
1-(2-methoxy-5-methylphenyl)-2-methylpropane-1,3-diamine
CID 116933048

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylphenyl)-3-methylbutan-1-amine?
The IUPAC name of 2-(2-methoxy-4-methylphenyl)-3-methylbutan-1-amine (CID 82395562) is 2-(2-methoxy-4-methylphenyl)-3-methylbutan-1-amine.
What is the SMILES notation for 2-(2-methoxy-4-methylphenyl)-3-methylbutan-1-amine?
The canonical SMILES for 2-(2-methoxy-4-methylphenyl)-3-methylbutan-1-amine is COc1cc(C)ccc1C(CN)C(C)C.
What is the InChIKey of 2-(2-methoxy-4-methylphenyl)-3-methylbutan-1-amine?
The InChIKey is XPTFEFFKVQMPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9(2)12(8-14)11-6-5-10(3)7-13(11)15-4/h5-7,9,12H,8,14H2,1-4H3.
What are the key properties of 2-(2-methoxy-4-methylphenyl)-3-methylbutan-1-amine?
2-(2-methoxy-4-methylphenyl)-3-methylbutan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylphenyl)-3-methylbutan-1-amine is sourced from PubChem (CID 82395562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).