3-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-amine

C14H23NO2 — CID 82161145

IUPAC3-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-amine
SMILESCOc1ccc(CCCN)cc1OCC(C)C
InChIInChI=1S/C14H23NO2/c1-11(2)10-17-14-9-12(5-4-8-15)6-7-13(14)16-3/h6-7,9,11H,4-5,8,10,15H2,1-3H3
InChIKeyHJBJVCSXLMWGLA-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.62
Rot. Bonds7

About 3-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-amine

3-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-amine (PubChem CID 82161145) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-amine
PubChem CID82161145
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-amine
SMILESCOc1ccc(CCCN)cc1OCC(C)C
InChIInChI=1S/C14H23NO2/c1-11(2)10-17-14-9-12(5-4-8-15)6-7-13(14)16-3/h6-7,9,11H,4-5,8,10,15H2,1-3H3
InChIKeyHJBJVCSXLMWGLA-UHFFFAOYSA-N
XLogP2.62
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
4-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]butan-1-amine
CID 83934697
3-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine
CID 82186047
3-[4-(3-chloropropoxy)-3-methoxyphenyl]propan-1-amine
CID 170867447
3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propan-1-amine
CID 170879181
3-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]propan-1-amine
CID 170879087
5-(3-aminopropyl)-2-methoxyphenol
CID 55265877
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
4-(bromomethyl)-2-methoxy-1-(2-methylpropoxy)benzene
CID 43141726
4-[3-(difluoromethyl)-4-methoxyphenyl]butan-1-amine
CID 117330457
2-(4-methoxy-3-pentoxyphenyl)ethanamine
CID 11096640
4-methoxy-3-(2-methylpropoxy)benzenethiol
CID 91656127

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-amine?
The IUPAC name of 3-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-amine (CID 82161145) is 3-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-amine.
What is the SMILES notation for 3-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-amine?
The canonical SMILES for 3-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-amine is COc1ccc(CCCN)cc1OCC(C)C.
What is the InChIKey of 3-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-amine?
The InChIKey is HJBJVCSXLMWGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(2)10-17-14-9-12(5-4-8-15)6-7-13(14)16-3/h6-7,9,11H,4-5,8,10,15H2,1-3H3.
What are the key properties of 3-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-amine?
3-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-amine is sourced from PubChem (CID 82161145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).