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

C15H25NO2 — CID 60907892

IUPAC1-[3-methoxy-2-(3-methylbutoxy)phenyl]propan-2-amine
SMILESCOc1cccc(CC(C)N)c1OCCC(C)C
InChIInChI=1S/C15H25NO2/c1-11(2)8-9-18-15-13(10-12(3)16)6-5-7-14(15)17-4/h5-7,11-12H,8-10,16H2,1-4H3
InChIKeyTWPHDYRBIRABSJ-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.01
Rot. Bonds7

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

1-[3-methoxy-2-(3-methylbutoxy)phenyl]propan-2-amine (PubChem CID 60907892) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[3-methoxy-2-(3-methylbutoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-methoxy-2-(3-methylbutoxy)phenyl]propan-2-amine
PubChem CID60907892
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-[3-methoxy-2-(3-methylbutoxy)phenyl]propan-2-amine
SMILESCOc1cccc(CC(C)N)c1OCCC(C)C
InChIInChI=1S/C15H25NO2/c1-11(2)8-9-18-15-13(10-12(3)16)6-5-7-14(15)17-4/h5-7,11-12H,8-10,16H2,1-4H3
InChIKeyTWPHDYRBIRABSJ-UHFFFAOYSA-N
XLogP3.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-methoxy-2-(2-methoxyethoxy)phenyl]propan-2-amine
CID 60907501
[3-methoxy-2-(3-methylbutoxy)phenyl]methanamine
CID 43471421
1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine
CID 61483304
1-[3-methoxy-2-(4,4,4-trifluorobutoxy)phenyl]propan-2-amine
CID 115517719
2-[2-(2-aminopropyl)-6-methoxyphenoxy]acetamide
CID 54929037
N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-2-amine
CID 43472032
N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847891
1-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propan-2-amine
CID 60906800
1-[2-(2,3-dichloroprop-2-enoxy)-3-methoxyphenyl]propan-2-amine
CID 79173484
1-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propan-2-amine
CID 60906569
1-ethyl-2,3-bis(3-methylbutoxy)benzene
CID 91472485
1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]butan-2-amine
CID 61483305

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-(3-methylbutoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-methoxy-2-(3-methylbutoxy)phenyl]propan-2-amine (CID 60907892) is 1-[3-methoxy-2-(3-methylbutoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-methoxy-2-(3-methylbutoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-methoxy-2-(3-methylbutoxy)phenyl]propan-2-amine is COc1cccc(CC(C)N)c1OCCC(C)C.
What is the InChIKey of 1-[3-methoxy-2-(3-methylbutoxy)phenyl]propan-2-amine?
The InChIKey is TWPHDYRBIRABSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11(2)8-9-18-15-13(10-12(3)16)6-5-7-14(15)17-4/h5-7,11-12H,8-10,16H2,1-4H3.
What are the key properties of 1-[3-methoxy-2-(3-methylbutoxy)phenyl]propan-2-amine?
1-[3-methoxy-2-(3-methylbutoxy)phenyl]propan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-(3-methylbutoxy)phenyl]propan-2-amine is sourced from PubChem (CID 60907892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).