1-[4-(2-butoxyethoxy)phenyl]propan-2-amine

C15H25NO2 — CID 54956350

IUPAC1-[4-(2-butoxyethoxy)phenyl]propan-2-amine
SMILESCCCCOCCOc1ccc(CC(C)N)cc1
InChIInChI=1S/C15H25NO2/c1-3-4-9-17-10-11-18-15-7-5-14(6-8-15)12-13(2)16/h5-8,13H,3-4,9-12,16H2,1-2H3
InChIKeyVCXCQAVUVYQFDF-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.77
Rot. Bonds9

About 1-[4-(2-butoxyethoxy)phenyl]propan-2-amine

1-[4-(2-butoxyethoxy)phenyl]propan-2-amine (PubChem CID 54956350) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[4-(2-butoxyethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(2-butoxyethoxy)phenyl]propan-2-amine
PubChem CID54956350
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-[4-(2-butoxyethoxy)phenyl]propan-2-amine
SMILESCCCCOCCOc1ccc(CC(C)N)cc1
InChIInChI=1S/C15H25NO2/c1-3-4-9-17-10-11-18-15-7-5-14(6-8-15)12-13(2)16/h5-8,13H,3-4,9-12,16H2,1-2H3
InChIKeyVCXCQAVUVYQFDF-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

1-(4-propoxyphenyl)propan-2-amine;hydrochloride
CID 3027264
[4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine
CID 43254346
(2R)-1-[4-(3-aminopropoxy)phenyl]propan-2-amine
CID 57215719
[4-(2-hexoxyethoxy)phenyl]methanamine
CID 43254396
4-[4-(2-butoxyethoxy)phenyl]butan-2-ol
CID 61483224
1-[4-(2-bromoethoxy)phenyl]propan-2-amine
CID 170864441
1-(2-butoxyethoxy)-4-(chloromethyl)benzene
CID 29003978
(2R)-1-(3-butoxyphenyl)propan-2-amine
CID 171719991
[4-(3-pentoxypropoxy)phenyl]methanamine
CID 43275017
1-[4-(2-ethylsulfonylethoxy)phenyl]propan-2-amine
CID 54930795
1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylbenzene
CID 104567700
1-(2-butoxyethoxy)-4-methylbenzene
CID 64765824

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-butoxyethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[4-(2-butoxyethoxy)phenyl]propan-2-amine (CID 54956350) is 1-[4-(2-butoxyethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(2-butoxyethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-(2-butoxyethoxy)phenyl]propan-2-amine is CCCCOCCOc1ccc(CC(C)N)cc1.
What is the InChIKey of 1-[4-(2-butoxyethoxy)phenyl]propan-2-amine?
The InChIKey is VCXCQAVUVYQFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-4-9-17-10-11-18-15-7-5-14(6-8-15)12-13(2)16/h5-8,13H,3-4,9-12,16H2,1-2H3.
What are the key properties of 1-[4-(2-butoxyethoxy)phenyl]propan-2-amine?
1-[4-(2-butoxyethoxy)phenyl]propan-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 1-[4-(2-butoxyethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 54956350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).