2-(2-methoxy-3-propan-2-ylphenyl)propan-1-amine

C13H21NO — CID 117296766

IUPAC2-(2-methoxy-3-propan-2-ylphenyl)propan-1-amine
SMILESCOc1c(C(C)C)cccc1C(C)CN
InChIInChI=1S/C13H21NO/c1-9(2)11-6-5-7-12(10(3)8-14)13(11)15-4/h5-7,9-10H,8,14H2,1-4H3
InChIKeyMYILVNITIZTCTR-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.88
Rot. Bonds4

About 2-(2-methoxy-3-propan-2-ylphenyl)propan-1-amine

2-(2-methoxy-3-propan-2-ylphenyl)propan-1-amine (PubChem CID 117296766) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(2-methoxy-3-propan-2-ylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-methoxy-3-propan-2-ylphenyl)propan-1-amine
PubChem CID117296766
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(2-methoxy-3-propan-2-ylphenyl)propan-1-amine
SMILESCOc1c(C(C)C)cccc1C(C)CN
InChIInChI=1S/C13H21NO/c1-9(2)11-6-5-7-12(10(3)8-14)13(11)15-4/h5-7,9-10H,8,14H2,1-4H3
InChIKeyMYILVNITIZTCTR-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 3029784
2-(2-methoxy-3-propan-2-ylphenyl)propan-1-ol
CID 117297911
2-(3-fluoro-2-methoxyphenyl)propan-1-amine;hydrobromide
CID 117414447
2-[3-(fluoromethyl)-2-methoxyphenyl]propan-1-amine
CID 84667736
2-(2-propan-2-ylphenyl)propan-1-amine
CID 82599641
2-(2,4-dimethoxy-3-propan-2-ylphenyl)propan-1-amine
CID 117347645
2-(3-methoxy-4-methyl-2-propan-2-ylphenyl)propan-1-amine
CID 117317005
1-bromo-2-methoxy-3-propan-2-ylbenzene
CID 11333670
2-(2-cyclobutyloxy-3-methoxyphenyl)propan-1-amine
CID 117343383
2-(5-fluoronaphthalen-1-yl)propan-1-amine
CID 105455459
cerium(3+);2-naphthalen-1-ylpropan-1-amine;trichloride;hydrate
CID 159849461
2-(2-ethoxy-3,4-dimethoxyphenyl)propan-1-amine
CID 117351336

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3-propan-2-ylphenyl)propan-1-amine?
The IUPAC name of 2-(2-methoxy-3-propan-2-ylphenyl)propan-1-amine (CID 117296766) is 2-(2-methoxy-3-propan-2-ylphenyl)propan-1-amine.
What is the SMILES notation for 2-(2-methoxy-3-propan-2-ylphenyl)propan-1-amine?
The canonical SMILES for 2-(2-methoxy-3-propan-2-ylphenyl)propan-1-amine is COc1c(C(C)C)cccc1C(C)CN.
What is the InChIKey of 2-(2-methoxy-3-propan-2-ylphenyl)propan-1-amine?
The InChIKey is MYILVNITIZTCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9(2)11-6-5-7-12(10(3)8-14)13(11)15-4/h5-7,9-10H,8,14H2,1-4H3.
What are the key properties of 2-(2-methoxy-3-propan-2-ylphenyl)propan-1-amine?
2-(2-methoxy-3-propan-2-ylphenyl)propan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3-propan-2-ylphenyl)propan-1-amine is sourced from PubChem (CID 117296766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).