4-[2-(2-methylpropoxy)phenyl]butan-1-amine

C14H23NO — CID 83932463

IUPAC4-[2-(2-methylpropoxy)phenyl]butan-1-amine
SMILESCC(C)COc1ccccc1CCCCN
InChIInChI=1S/C14H23NO/c1-12(2)11-16-14-9-4-3-7-13(14)8-5-6-10-15/h3-4,7,9,12H,5-6,8,10-11,15H2,1-2H3
InChIKeyYDRGBUAPGDHHHP-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.00
Rot. Bonds7

About 4-[2-(2-methylpropoxy)phenyl]butan-1-amine

4-[2-(2-methylpropoxy)phenyl]butan-1-amine (PubChem CID 83932463) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-[2-(2-methylpropoxy)phenyl]butan-1-amine.

Molecular Properties

Compound Name4-[2-(2-methylpropoxy)phenyl]butan-1-amine
PubChem CID83932463
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-[2-(2-methylpropoxy)phenyl]butan-1-amine
SMILESCC(C)COc1ccccc1CCCCN
InChIInChI=1S/C14H23NO/c1-12(2)11-16-14-9-4-3-7-13(14)8-5-6-10-15/h3-4,7,9,12H,5-6,8,10-11,15H2,1-2H3
InChIKeyYDRGBUAPGDHHHP-UHFFFAOYSA-N
XLogP3.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylpropoxy)-2-[2-[2-[2-(2-methylpropoxy)phenyl]ethoxy]ethyl]benzene
CID 141096920
4-[2-(difluoromethoxy)phenyl]butan-1-amine
CID 117306539
3-[2-(2-methylpropoxy)phenyl]propanoic acid
CID 82161462
4-[2-(2-aminopropyl)phenyl]butan-1-amine
CID 66940380
1-(2-octylphenoxy)propan-2-ol
CID 142740915
2-[2-(2-methylpentoxy)phenyl]ethanamine
CID 62266954
4-[3-[2-(2-methylpropoxy)phenyl]propyl]morpholine
CID 170870421
1-[2-(2-methylpropoxy)phenyl]propan-2-ol
CID 82161419
4-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]butan-1-amine
CID 83934697
2-methyl-3-[2-[2-(2-methylpropoxy)phenyl]ethyl]oxirane
CID 83932492
3-[2-(2-methylpropoxy)phenyl]-2-phenylpropan-1-amine
CID 82160440
2-[[2-(2-methylpropoxy)phenyl]methyl]guanidine
CID 110917976

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylpropoxy)phenyl]butan-1-amine?
The IUPAC name of 4-[2-(2-methylpropoxy)phenyl]butan-1-amine (CID 83932463) is 4-[2-(2-methylpropoxy)phenyl]butan-1-amine.
What is the SMILES notation for 4-[2-(2-methylpropoxy)phenyl]butan-1-amine?
The canonical SMILES for 4-[2-(2-methylpropoxy)phenyl]butan-1-amine is CC(C)COc1ccccc1CCCCN.
What is the InChIKey of 4-[2-(2-methylpropoxy)phenyl]butan-1-amine?
The InChIKey is YDRGBUAPGDHHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-12(2)11-16-14-9-4-3-7-13(14)8-5-6-10-15/h3-4,7,9,12H,5-6,8,10-11,15H2,1-2H3.
What are the key properties of 4-[2-(2-methylpropoxy)phenyl]butan-1-amine?
4-[2-(2-methylpropoxy)phenyl]butan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylpropoxy)phenyl]butan-1-amine is sourced from PubChem (CID 83932463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).