4-butoxy-N-ethyl-1-phenylbutan-1-amine

C16H27NO — CID 54956660

IUPAC4-butoxy-N-ethyl-1-phenylbutan-1-amine
SMILESCCCCOCCCC(NCC)c1ccccc1
InChIInChI=1S/C16H27NO/c1-3-5-13-18-14-9-12-16(17-4-2)15-10-7-6-8-11-15/h6-8,10-11,16-17H,3-5,9,12-14H2,1-2H3
InChIKeyUBEPVCKQWXKTJN-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.93
Rot. Bonds10

About 4-butoxy-N-ethyl-1-phenylbutan-1-amine

4-butoxy-N-ethyl-1-phenylbutan-1-amine (PubChem CID 54956660) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-butoxy-N-ethyl-1-phenylbutan-1-amine.

Molecular Properties

Compound Name4-butoxy-N-ethyl-1-phenylbutan-1-amine
PubChem CID54956660
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-butoxy-N-ethyl-1-phenylbutan-1-amine
SMILESCCCCOCCCC(NCC)c1ccccc1
InChIInChI=1S/C16H27NO/c1-3-5-13-18-14-9-12-16(17-4-2)15-10-7-6-8-11-15/h6-8,10-11,16-17H,3-5,9,12-14H2,1-2H3
InChIKeyUBEPVCKQWXKTJN-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.93
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

3-butoxy-N-ethyl-1-phenylpropan-1-amine
CID 115002192
N-(2-butoxyethyl)-1-phenylhexan-1-amine
CID 63452751
N-ethyl-6-(2-methoxyethoxy)-1-phenylhexan-1-amine
CID 103413713
N-ethyl-2-heptoxy-1-phenylethanamine
CID 63475443
N-methyl-1-phenyl-4-propoxybutan-1-amine
CID 79570537
3-butoxy-N-(2-methoxy-1-phenylethyl)propan-1-amine
CID 103464688
4-butoxy-1-phenylbutan-1-amine
CID 61483795
5-(ethylamino)-5-phenylpentan-1-ol
CID 134172288
1-(4-butoxyphenyl)-N-ethylheptan-1-amine
CID 105125826
N-ethyl-1-(4-propoxyphenyl)pentan-1-amine
CID 79405246
N-ethyl-2-[3-(2-methoxyethoxy)propoxy]-1-phenylethanamine
CID 103401642
4-ethoxy-N-ethyl-1-(3-fluorophenyl)butan-1-amine
CID 105092697

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-ethyl-1-phenylbutan-1-amine?
The IUPAC name of 4-butoxy-N-ethyl-1-phenylbutan-1-amine (CID 54956660) is 4-butoxy-N-ethyl-1-phenylbutan-1-amine.
What is the SMILES notation for 4-butoxy-N-ethyl-1-phenylbutan-1-amine?
The canonical SMILES for 4-butoxy-N-ethyl-1-phenylbutan-1-amine is CCCCOCCCC(NCC)c1ccccc1.
What is the InChIKey of 4-butoxy-N-ethyl-1-phenylbutan-1-amine?
The InChIKey is UBEPVCKQWXKTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-3-5-13-18-14-9-12-16(17-4-2)15-10-7-6-8-11-15/h6-8,10-11,16-17H,3-5,9,12-14H2,1-2H3.
What are the key properties of 4-butoxy-N-ethyl-1-phenylbutan-1-amine?
4-butoxy-N-ethyl-1-phenylbutan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.93, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-ethyl-1-phenylbutan-1-amine is sourced from PubChem (CID 54956660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).