1-phenyl-2-(2-propan-2-yloxyethoxy)butan-1-amine

C15H25NO2 — CID 43211618

IUPAC1-phenyl-2-(2-propan-2-yloxyethoxy)butan-1-amine
SMILESCCC(OCCOC(C)C)C(N)c1ccccc1
InChIInChI=1S/C15H25NO2/c1-4-14(18-11-10-17-12(2)3)15(16)13-8-6-5-7-9-13/h5-9,12,14-15H,4,10-11,16H2,1-3H3
InChIKeyJKAADGPVKFJOGN-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.91
Rot. Bonds8

About 1-phenyl-2-(2-propan-2-yloxyethoxy)butan-1-amine

1-phenyl-2-(2-propan-2-yloxyethoxy)butan-1-amine (PubChem CID 43211618) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-phenyl-2-(2-propan-2-yloxyethoxy)butan-1-amine.

Molecular Properties

Compound Name1-phenyl-2-(2-propan-2-yloxyethoxy)butan-1-amine
PubChem CID43211618
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-phenyl-2-(2-propan-2-yloxyethoxy)butan-1-amine
SMILESCCC(OCCOC(C)C)C(N)c1ccccc1
InChIInChI=1S/C15H25NO2/c1-4-14(18-11-10-17-12(2)3)15(16)13-8-6-5-7-9-13/h5-9,12,14-15H,4,10-11,16H2,1-3H3
InChIKeyJKAADGPVKFJOGN-UHFFFAOYSA-N
XLogP2.91
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.91
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

2-(2-butoxyethoxy)-1-phenylbutan-1-amine
CID 43127531
2-methoxy-1-phenylbutan-1-amine
CID 43211581
2-(2-cyclobutylethoxy)-1-phenylbutan-1-amine
CID 106201059
2-methyl-1-phenyl-4-propan-2-yloxybutan-1-amine
CID 104845224
2-phenoxy-1-phenylbutan-1-amine
CID 43211594
2-N-methyl-1-phenyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81055828
1-phenyl-2-(3-propan-2-ylphenoxy)butan-1-amine
CID 43108212
2-ethoxy-1-(3-propan-2-yloxyphenyl)butan-1-amine
CID 116716401
(1S,2R)-1-phenylbutane-1,2-diamine
CID 10702186
2-amino-2-phenyl-N-(2-propan-2-yloxyethyl)acetamide
CID 113450222
2-methyl-1-phenylpropan-1-amine;1-phenylpropan-1-amine
CID 159334217
2-ethoxy-1-(3-methylphenyl)butan-1-amine
CID 116716374

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(2-propan-2-yloxyethoxy)butan-1-amine?
The IUPAC name of 1-phenyl-2-(2-propan-2-yloxyethoxy)butan-1-amine (CID 43211618) is 1-phenyl-2-(2-propan-2-yloxyethoxy)butan-1-amine.
What is the SMILES notation for 1-phenyl-2-(2-propan-2-yloxyethoxy)butan-1-amine?
The canonical SMILES for 1-phenyl-2-(2-propan-2-yloxyethoxy)butan-1-amine is CCC(OCCOC(C)C)C(N)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(2-propan-2-yloxyethoxy)butan-1-amine?
The InChIKey is JKAADGPVKFJOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-14(18-11-10-17-12(2)3)15(16)13-8-6-5-7-9-13/h5-9,12,14-15H,4,10-11,16H2,1-3H3.
What are the key properties of 1-phenyl-2-(2-propan-2-yloxyethoxy)butan-1-amine?
1-phenyl-2-(2-propan-2-yloxyethoxy)butan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(2-propan-2-yloxyethoxy)butan-1-amine is sourced from PubChem (CID 43211618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).