2-(4-butylphenoxy)-N-prop-2-enylpropan-1-amine

C16H25NO — CID 115493408

IUPAC2-(4-butylphenoxy)-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)Oc1ccc(CCCC)cc1
InChIInChI=1S/C16H25NO/c1-4-6-7-15-8-10-16(11-9-15)18-14(3)13-17-12-5-2/h5,8-11,14,17H,2,4,6-7,12-13H2,1,3H3
InChIKeyRJSGKTDHLOEXKH-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.57
Rot. Bonds9

About 2-(4-butylphenoxy)-N-prop-2-enylpropan-1-amine

2-(4-butylphenoxy)-N-prop-2-enylpropan-1-amine (PubChem CID 115493408) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(4-butylphenoxy)-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound Name2-(4-butylphenoxy)-N-prop-2-enylpropan-1-amine
PubChem CID115493408
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(4-butylphenoxy)-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)Oc1ccc(CCCC)cc1
InChIInChI=1S/C16H25NO/c1-4-6-7-15-8-10-16(11-9-15)18-14(3)13-17-12-5-2/h5,8-11,14,17H,2,4,6-7,12-13H2,1,3H3
InChIKeyRJSGKTDHLOEXKH-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-butylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 115493375
2-(4-phenoxyphenoxy)-N-prop-2-enylpropan-1-amine
CID 62571235
N-(2-methoxyethyl)-2-(4-propylphenoxy)propan-1-amine
CID 62584394
2-(3-propan-2-ylphenoxy)-N-prop-2-enylpropan-1-amine
CID 62570863
3-(4-butylphenoxy)butan-2-ol
CID 115492969
N-ethyl-5-(4-propan-2-yloxyphenyl)pentan-1-amine
CID 65300939
N-[2-(4-fluorophenoxy)propyl]pentan-1-amine
CID 62570899
4-(4-butan-2-yloxyphenyl)butanal
CID 88668941
N-[2-(4-ethoxyphenoxy)propyl]pentan-1-amine
CID 62572869
4-(4-butylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 115493310
N-[2-(4-chlorophenoxy)propyl]heptan-1-amine
CID 54797550
N-[2-(4-tert-butylphenoxy)propyl]pentan-1-amine
CID 63505573

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenoxy)-N-prop-2-enylpropan-1-amine?
The IUPAC name of 2-(4-butylphenoxy)-N-prop-2-enylpropan-1-amine (CID 115493408) is 2-(4-butylphenoxy)-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for 2-(4-butylphenoxy)-N-prop-2-enylpropan-1-amine?
The canonical SMILES for 2-(4-butylphenoxy)-N-prop-2-enylpropan-1-amine is C=CCNCC(C)Oc1ccc(CCCC)cc1.
What is the InChIKey of 2-(4-butylphenoxy)-N-prop-2-enylpropan-1-amine?
The InChIKey is RJSGKTDHLOEXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-6-7-15-8-10-16(11-9-15)18-14(3)13-17-12-5-2/h5,8-11,14,17H,2,4,6-7,12-13H2,1,3H3.
What are the key properties of 2-(4-butylphenoxy)-N-prop-2-enylpropan-1-amine?
2-(4-butylphenoxy)-N-prop-2-enylpropan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenoxy)-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 115493408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).