4-butoxy-1-phenylbutan-1-amine

C14H23NO — CID 61483795

IUPAC4-butoxy-1-phenylbutan-1-amine
SMILESCCCCOCCCC(N)c1ccccc1
InChIInChI=1S/C14H23NO/c1-2-3-11-16-12-7-10-14(15)13-8-5-4-6-9-13/h4-6,8-9,14H,2-3,7,10-12,15H2,1H3
InChIKeyFWSYLPKQXNRDPO-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.28
Rot. Bonds8

About 4-butoxy-1-phenylbutan-1-amine

4-butoxy-1-phenylbutan-1-amine (PubChem CID 61483795) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-butoxy-1-phenylbutan-1-amine.

Molecular Properties

Compound Name4-butoxy-1-phenylbutan-1-amine
PubChem CID61483795
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-butoxy-1-phenylbutan-1-amine
SMILESCCCCOCCCC(N)c1ccccc1
InChIInChI=1S/C14H23NO/c1-2-3-11-16-12-7-10-14(15)13-8-5-4-6-9-13/h4-6,8-9,14H,2-3,7,10-12,15H2,1H3
InChIKeyFWSYLPKQXNRDPO-UHFFFAOYSA-N
XLogP3.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenylhexan-1-amine;hydrochloride
CID 3033249
1-phenyldecan-1-amine
CID 43175860
2-pentoxy-1-phenylethanamine
CID 43275081
1-phenylheptadecan-1-amine;hydrobromide
CID 20538047
chloromethane;1-phenyltridecan-1-amine
CID 175245788
4-butoxy-2-phenylbutan-1-amine
CID 65429103
(1R)-1-(4-phenoxyphenyl)hexan-1-amine
CID 28979758
4-butoxy-N-ethyl-1-phenylbutan-1-amine
CID 54956660
2-butoxyethyl (2R)-2-amino-2-phenylacetate
CID 61302671
2-(2-butoxyethoxy)-1-phenylbutan-1-amine
CID 43127531
4-ethoxy-1-(4-methoxyphenyl)butan-1-amine
CID 105095438
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-1-phenylbutan-1-amine?
The IUPAC name of 4-butoxy-1-phenylbutan-1-amine (CID 61483795) is 4-butoxy-1-phenylbutan-1-amine.
What is the SMILES notation for 4-butoxy-1-phenylbutan-1-amine?
The canonical SMILES for 4-butoxy-1-phenylbutan-1-amine is CCCCOCCCC(N)c1ccccc1.
What is the InChIKey of 4-butoxy-1-phenylbutan-1-amine?
The InChIKey is FWSYLPKQXNRDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-3-11-16-12-7-10-14(15)13-8-5-4-6-9-13/h4-6,8-9,14H,2-3,7,10-12,15H2,1H3.
What are the key properties of 4-butoxy-1-phenylbutan-1-amine?
4-butoxy-1-phenylbutan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-1-phenylbutan-1-amine is sourced from PubChem (CID 61483795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).