N-(2-but-3-enoxyethyl)-4-phenylbutan-1-amine

C16H25NO — CID 114184074

IUPACN-(2-but-3-enoxyethyl)-4-phenylbutan-1-amine
SMILESC=CCCOCCNCCCCc1ccccc1
InChIInChI=1S/C16H25NO/c1-2-3-14-18-15-13-17-12-8-7-11-16-9-5-4-6-10-16/h2,4-6,9-10,17H,1,3,7-8,11-15H2
InChIKeyKOIUOMBFSPCAOV-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.19
Rot. Bonds11

About N-(2-but-3-enoxyethyl)-4-phenylbutan-1-amine

N-(2-but-3-enoxyethyl)-4-phenylbutan-1-amine (PubChem CID 114184074) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-4-phenylbutan-1-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-4-phenylbutan-1-amine
PubChem CID114184074
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(2-but-3-enoxyethyl)-4-phenylbutan-1-amine
SMILESC=CCCOCCNCCCCc1ccccc1
InChIInChI=1S/C16H25NO/c1-2-3-14-18-15-13-17-12-8-7-11-16-9-5-4-6-10-16/h2,4-6,9-10,17H,1,3,7-8,11-15H2
InChIKeyKOIUOMBFSPCAOV-UHFFFAOYSA-N
XLogP3.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.19
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

4-phenyl-N-(2-prop-2-enoxyethyl)butan-1-amine
CID 114264696
N-(2-phenylmethoxyethyl)hex-5-en-1-amine
CID 130560876
N-[2-(2-methoxyethoxy)ethyl]-4-phenylbutan-1-amine
CID 114333296
N-benzyl-2-pent-4-enoxyethanamine
CID 79114606
N-(2-but-3-enoxyethyl)hept-6-en-1-amine
CID 106401455
N-(2-but-3-enoxyethyl)-2-pyridin-3-ylethanamine
CID 106401408
hept-6-enylbenzene
CID 15608161
N-(2-but-3-enoxyethyl)-3-phenylbutan-1-amine
CID 107095208
5-(2-but-3-enoxyethylamino)pentanoic acid
CID 106402163
N-[2-(3-phenylpropoxy)ethyl]-3-propan-2-yloxypropan-1-amine
CID 62585001
2-but-3-enoxy-N-[2-(2-methoxyphenoxy)ethyl]ethanamine
CID 106401757
3-(3-phenylpropoxy)-N-propylpropan-1-amine
CID 62485607

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-4-phenylbutan-1-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-4-phenylbutan-1-amine (CID 114184074) is N-(2-but-3-enoxyethyl)-4-phenylbutan-1-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-4-phenylbutan-1-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-4-phenylbutan-1-amine is C=CCCOCCNCCCCc1ccccc1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-4-phenylbutan-1-amine?
The InChIKey is KOIUOMBFSPCAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-3-14-18-15-13-17-12-8-7-11-16-9-5-4-6-10-16/h2,4-6,9-10,17H,1,3,7-8,11-15H2.
What are the key properties of N-(2-but-3-enoxyethyl)-4-phenylbutan-1-amine?
N-(2-but-3-enoxyethyl)-4-phenylbutan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.19, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-4-phenylbutan-1-amine is sourced from PubChem (CID 114184074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).