4-[4-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine

C16H27NO3 — CID 103408958

IUPAC4-[4-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine
SMILESCOCCOCCCOc1ccc(CCC(C)N)cc1
InChIInChI=1S/C16H27NO3/c1-14(17)4-5-15-6-8-16(9-7-15)20-11-3-10-19-13-12-18-2/h6-9,14H,3-5,10-13,17H2,1-2H3
InChIKeyIYHYMCCEYQAXAT-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.40
Rot. Bonds11

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

4-[4-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine (PubChem CID 103408958) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[4-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name4-[4-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine
PubChem CID103408958
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name4-[4-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine
SMILESCOCCOCCCOc1ccc(CCC(C)N)cc1
InChIInChI=1S/C16H27NO3/c1-14(17)4-5-15-6-8-16(9-7-15)20-11-3-10-19-13-12-18-2/h6-9,14H,3-5,10-13,17H2,1-2H3
InChIKeyIYHYMCCEYQAXAT-UHFFFAOYSA-N
XLogP2.40
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(3-ethoxypropoxy)phenyl]butan-2-amine
CID 65175903
(1R)-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103402999
4-[4-(3-phenylpropoxy)phenyl]butan-2-amine
CID 43094230
1-(2-methoxyethoxy)-4-(3-methylbutyl)benzene
CID 156727019
2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine
CID 152682360
4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine
CID 16786701
4-[4-(2-methoxypropoxy)phenyl]butan-2-amine
CID 113382671
4-[4-(3-methylbut-3-enoxy)phenyl]butan-2-amine
CID 114471370
4-[4-(2-butoxyethoxy)phenyl]butan-2-ol
CID 61483224
4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butan-2-amine
CID 61493668
1-[4-(2-butoxyethoxy)phenyl]propan-2-amine
CID 54956350
N-[[4-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 103409048

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine?
The IUPAC name of 4-[4-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine (CID 103408958) is 4-[4-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine.
What is the SMILES notation for 4-[4-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine?
The canonical SMILES for 4-[4-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine is COCCOCCCOc1ccc(CCC(C)N)cc1.
What is the InChIKey of 4-[4-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine?
The InChIKey is IYHYMCCEYQAXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-14(17)4-5-15-6-8-16(9-7-15)20-11-3-10-19-13-12-18-2/h6-9,14H,3-5,10-13,17H2,1-2H3.
What are the key properties of 4-[4-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine?
4-[4-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 2.40, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine is sourced from PubChem (CID 103408958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).