4-phenyl-N-(2-prop-2-enoxyethyl)butan-1-amine

C15H23NO — CID 114264696

IUPAC4-phenyl-N-(2-prop-2-enoxyethyl)butan-1-amine
SMILESC=CCOCCNCCCCc1ccccc1
InChIInChI=1S/C15H23NO/c1-2-13-17-14-12-16-11-7-6-10-15-8-4-3-5-9-15/h2-5,8-9,16H,1,6-7,10-14H2
InChIKeyWIQMIQIDDXMJMM-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.80
Rot. Bonds10

About 4-phenyl-N-(2-prop-2-enoxyethyl)butan-1-amine

4-phenyl-N-(2-prop-2-enoxyethyl)butan-1-amine (PubChem CID 114264696) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-phenyl-N-(2-prop-2-enoxyethyl)butan-1-amine.

Molecular Properties

Compound Name4-phenyl-N-(2-prop-2-enoxyethyl)butan-1-amine
PubChem CID114264696
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name4-phenyl-N-(2-prop-2-enoxyethyl)butan-1-amine
SMILESC=CCOCCNCCCCc1ccccc1
InChIInChI=1S/C15H23NO/c1-2-13-17-14-12-16-11-7-6-10-15-8-4-3-5-9-15/h2-5,8-9,16H,1,6-7,10-14H2
InChIKeyWIQMIQIDDXMJMM-UHFFFAOYSA-N
XLogP2.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.80
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

N-(2-but-3-enoxyethyl)-4-phenylbutan-1-amine
CID 114184074
N-[2-(2-methoxyethoxy)ethyl]-4-phenylbutan-1-amine
CID 114333296
N-(2-phenylmethoxyethyl)hex-5-en-1-amine
CID 130560876
N-(4-chlorobutyl)-4-phenylbutan-1-amine
CID 106844243
N'-(4-phenylbutyl)-N-propylethane-1,2-diamine
CID 113405226
N-(4-phenylbutyl)hexan-1-amine
CID 54151992
11-phenyl-N-undecylundecan-1-amine
CID 175593224
5-(4-phenylbutylamino)pentan-1-ol
CID 107317257
5-phenyl-N-propylpentan-1-amine
CID 62530615
N-benzyl-2-pent-4-enoxyethanamine
CID 79114606
N-[2-(3-phenylpropoxy)ethyl]-3-propan-2-yloxypropan-1-amine
CID 62585001
N-(3-methoxypropyl)-3-phenylpropan-1-amine
CID 28674385

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(2-prop-2-enoxyethyl)butan-1-amine?
The IUPAC name of 4-phenyl-N-(2-prop-2-enoxyethyl)butan-1-amine (CID 114264696) is 4-phenyl-N-(2-prop-2-enoxyethyl)butan-1-amine.
What is the SMILES notation for 4-phenyl-N-(2-prop-2-enoxyethyl)butan-1-amine?
The canonical SMILES for 4-phenyl-N-(2-prop-2-enoxyethyl)butan-1-amine is C=CCOCCNCCCCc1ccccc1.
What is the InChIKey of 4-phenyl-N-(2-prop-2-enoxyethyl)butan-1-amine?
The InChIKey is WIQMIQIDDXMJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-13-17-14-12-16-11-7-6-10-15-8-4-3-5-9-15/h2-5,8-9,16H,1,6-7,10-14H2.
What are the key properties of 4-phenyl-N-(2-prop-2-enoxyethyl)butan-1-amine?
4-phenyl-N-(2-prop-2-enoxyethyl)butan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 2.80, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(2-prop-2-enoxyethyl)butan-1-amine is sourced from PubChem (CID 114264696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).