N-ethyl-4-(3-phenylprop-2-enoxy)butan-1-amine

C15H23NO — CID 76943814

IUPACN-ethyl-4-(3-phenylprop-2-enoxy)butan-1-amine
SMILESCCNCCCCOCC=Cc1ccccc1
InChIInChI=1S/C15H23NO/c1-2-16-12-6-7-13-17-14-8-11-15-9-4-3-5-10-15/h3-5,8-11,16H,2,6-7,12-14H2,1H3
InChIKeyQRRYTEBVBLVKOP-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.11
Rot. Bonds9

About N-ethyl-4-(3-phenylprop-2-enoxy)butan-1-amine

N-ethyl-4-(3-phenylprop-2-enoxy)butan-1-amine (PubChem CID 76943814) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-ethyl-4-(3-phenylprop-2-enoxy)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(3-phenylprop-2-enoxy)butan-1-amine
PubChem CID76943814
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-ethyl-4-(3-phenylprop-2-enoxy)butan-1-amine
SMILESCCNCCCCOCC=Cc1ccccc1
InChIInChI=1S/C15H23NO/c1-2-16-12-6-7-13-17-14-8-11-15-9-4-3-5-10-15/h3-5,8-11,16H,2,6-7,12-14H2,1H3
InChIKeyQRRYTEBVBLVKOP-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.11
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

N-ethyl-3-(3-phenylprop-2-enoxy)propan-1-amine
CID 76943842
[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene
CID 15531171
N-[2-(3-phenylprop-2-enoxy)ethyl]hexan-1-amine
CID 76946619
3-nonoxyprop-1-enylbenzene
CID 91487084
3-henicosoxyprop-1-enylbenzene
CID 139660432
N-ethyl-4-(3-phenylprop-2-enoxy)pentan-1-amine
CID 76943783
N,N-dimethyl-4-(3-phenylprop-2-enoxy)butan-1-amine
CID 70406914
5-(3-phenylprop-2-enoxy)pentan-1-amine
CID 76943765
3-butoxy-N-[(E)-3-phenylprop-2-enyl]propan-1-amine;hydrochloride
CID 17206554
2-[(Z)-3-phenylprop-2-enoxy]ethanol
CID 11679907
3-(2-bromoethoxy)prop-1-enylbenzene
CID 72731799
N-butyl-N-[2-(3-phenylprop-2-enoxy)ethyl]butan-1-amine
CID 70406880

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-phenylprop-2-enoxy)butan-1-amine?
The IUPAC name of N-ethyl-4-(3-phenylprop-2-enoxy)butan-1-amine (CID 76943814) is N-ethyl-4-(3-phenylprop-2-enoxy)butan-1-amine.
What is the SMILES notation for N-ethyl-4-(3-phenylprop-2-enoxy)butan-1-amine?
The canonical SMILES for N-ethyl-4-(3-phenylprop-2-enoxy)butan-1-amine is CCNCCCCOCC=Cc1ccccc1.
What is the InChIKey of N-ethyl-4-(3-phenylprop-2-enoxy)butan-1-amine?
The InChIKey is QRRYTEBVBLVKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-16-12-6-7-13-17-14-8-11-15-9-4-3-5-10-15/h3-5,8-11,16H,2,6-7,12-14H2,1H3.
What are the key properties of N-ethyl-4-(3-phenylprop-2-enoxy)butan-1-amine?
N-ethyl-4-(3-phenylprop-2-enoxy)butan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-phenylprop-2-enoxy)butan-1-amine is sourced from PubChem (CID 76943814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).