4-[4-(3-ethoxypropoxy)phenyl]butan-2-amine

C15H25NO2 — CID 65175903

IUPAC4-[4-(3-ethoxypropoxy)phenyl]butan-2-amine
SMILESCCOCCCOc1ccc(CCC(C)N)cc1
InChIInChI=1S/C15H25NO2/c1-3-17-11-4-12-18-15-9-7-14(8-10-15)6-5-13(2)16/h7-10,13H,3-6,11-12,16H2,1-2H3
InChIKeyNAMSVQCCQZKGGF-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.77
Rot. Bonds9

About 4-[4-(3-ethoxypropoxy)phenyl]butan-2-amine

4-[4-(3-ethoxypropoxy)phenyl]butan-2-amine (PubChem CID 65175903) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[4-(3-ethoxypropoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name4-[4-(3-ethoxypropoxy)phenyl]butan-2-amine
PubChem CID65175903
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-[4-(3-ethoxypropoxy)phenyl]butan-2-amine
SMILESCCOCCCOc1ccc(CCC(C)N)cc1
InChIInChI=1S/C15H25NO2/c1-3-17-11-4-12-18-15-9-7-14(8-10-15)6-5-13(2)16/h7-10,13H,3-6,11-12,16H2,1-2H3
InChIKeyNAMSVQCCQZKGGF-UHFFFAOYSA-N
XLogP2.77
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine
CID 103408958
4-[4-(3-phenylpropoxy)phenyl]butan-2-amine
CID 43094230
4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine
CID 16786701
4-[4-(2-ethylbutoxy)phenyl]butan-2-amine
CID 82926712
4-[4-(3-methylbut-3-enoxy)phenyl]butan-2-amine
CID 114471370
4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butan-2-amine
CID 61493668
1-[4-(3-ethoxypropoxy)phenyl]propan-1-amine
CID 65175902
4-(3-ethoxypropoxy)aniline
CID 43365878
4-[4-(2-pyrazol-1-ylethoxy)phenyl]butan-2-amine
CID 61491560
4-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 43184619
4-[4-(2-methoxypropoxy)phenyl]butan-2-amine
CID 113382671
1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene
CID 70366041

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-ethoxypropoxy)phenyl]butan-2-amine?
The IUPAC name of 4-[4-(3-ethoxypropoxy)phenyl]butan-2-amine (CID 65175903) is 4-[4-(3-ethoxypropoxy)phenyl]butan-2-amine.
What is the SMILES notation for 4-[4-(3-ethoxypropoxy)phenyl]butan-2-amine?
The canonical SMILES for 4-[4-(3-ethoxypropoxy)phenyl]butan-2-amine is CCOCCCOc1ccc(CCC(C)N)cc1.
What is the InChIKey of 4-[4-(3-ethoxypropoxy)phenyl]butan-2-amine?
The InChIKey is NAMSVQCCQZKGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-17-11-4-12-18-15-9-7-14(8-10-15)6-5-13(2)16/h7-10,13H,3-6,11-12,16H2,1-2H3.
What are the key properties of 4-[4-(3-ethoxypropoxy)phenyl]butan-2-amine?
4-[4-(3-ethoxypropoxy)phenyl]butan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-ethoxypropoxy)phenyl]butan-2-amine is sourced from PubChem (CID 65175903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).