N-ethyl-1-(4-prop-2-enoxyphenyl)propan-2-amine

C14H21NO — CID 115494903

IUPACN-ethyl-1-(4-prop-2-enoxyphenyl)propan-2-amine
SMILESC=CCOc1ccc(CC(C)NCC)cc1
InChIInChI=1S/C14H21NO/c1-4-10-16-14-8-6-13(7-9-14)11-12(3)15-5-2/h4,6-9,12,15H,1,5,10-11H2,2-3H3
InChIKeyZGSLJFPAIIKEKG-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.79
Rot. Bonds7

About N-ethyl-1-(4-prop-2-enoxyphenyl)propan-2-amine

N-ethyl-1-(4-prop-2-enoxyphenyl)propan-2-amine (PubChem CID 115494903) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-ethyl-1-(4-prop-2-enoxyphenyl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-prop-2-enoxyphenyl)propan-2-amine
PubChem CID115494903
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-ethyl-1-(4-prop-2-enoxyphenyl)propan-2-amine
SMILESC=CCOc1ccc(CC(C)NCC)cc1
InChIInChI=1S/C14H21NO/c1-4-10-16-14-8-6-13(7-9-14)11-12(3)15-5-2/h4,6-9,12,15H,1,5,10-11H2,2-3H3
InChIKeyZGSLJFPAIIKEKG-UHFFFAOYSA-N
XLogP2.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 63010555
N-ethyl-1-[4-(3-methylbutoxy)phenyl]propan-2-amine
CID 115494877
N-ethyl-1-(4-prop-2-ynoxyphenyl)propan-2-amine
CID 115495069
N-ethyl-1-(4-heptoxyphenyl)propan-2-amine
CID 115494863
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-ethylpropan-2-amine
CID 115495018
N-ethyl-1-[4-(2-propoxyethoxy)phenyl]propan-2-amine
CID 106450535
N-ethyl-1-[4-(thiophen-3-ylmethoxy)phenyl]propan-2-amine
CID 115494944
ethyl 2-[4-[2-(ethylamino)propyl]phenoxy]acetate
CID 115494998
(3S)-3-amino-4-(4-prop-2-enoxyphenyl)butan-2-one
CID 170070468
N-ethyl-1-[4-(2-propylsulfonylethoxy)phenyl]propan-2-amine
CID 106722425
2-[4-[2-(ethylamino)propyl]phenoxy]-N-propylacetamide
CID 115495042
1-[4-[(3-bromophenyl)methoxy]phenyl]-N-ethylpropan-2-amine
CID 115494906

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-prop-2-enoxyphenyl)propan-2-amine?
The IUPAC name of N-ethyl-1-(4-prop-2-enoxyphenyl)propan-2-amine (CID 115494903) is N-ethyl-1-(4-prop-2-enoxyphenyl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-(4-prop-2-enoxyphenyl)propan-2-amine?
The canonical SMILES for N-ethyl-1-(4-prop-2-enoxyphenyl)propan-2-amine is C=CCOc1ccc(CC(C)NCC)cc1.
What is the InChIKey of N-ethyl-1-(4-prop-2-enoxyphenyl)propan-2-amine?
The InChIKey is ZGSLJFPAIIKEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-10-16-14-8-6-13(7-9-14)11-12(3)15-5-2/h4,6-9,12,15H,1,5,10-11H2,2-3H3.
What are the key properties of N-ethyl-1-(4-prop-2-enoxyphenyl)propan-2-amine?
N-ethyl-1-(4-prop-2-enoxyphenyl)propan-2-amine has a molecular weight of 219.33 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-prop-2-enoxyphenyl)propan-2-amine is sourced from PubChem (CID 115494903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).