N-[2-(4-ethoxy-2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine

C18H29NO2 — CID 63515567

IUPACN-[2-(4-ethoxy-2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine
SMILESC=CCc1cc(OCC)ccc1OC(C)CNCC(C)C
InChIInChI=1S/C18H29NO2/c1-6-8-16-11-17(20-7-2)9-10-18(16)21-15(5)13-19-12-14(3)4/h6,9-11,14-15,19H,1,7-8,12-13H2,2-5H3
InChIKeyPQDXNFGLOZVTTH-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.83
Rot. Bonds10

About N-[2-(4-ethoxy-2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine

N-[2-(4-ethoxy-2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine (PubChem CID 63515567) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[2-(4-ethoxy-2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(4-ethoxy-2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine
PubChem CID63515567
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[2-(4-ethoxy-2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine
SMILESC=CCc1cc(OCC)ccc1OC(C)CNCC(C)C
InChIInChI=1S/C18H29NO2/c1-6-8-16-11-17(20-7-2)9-10-18(16)21-15(5)13-19-12-14(3)4/h6,9-11,14-15,19H,1,7-8,12-13H2,2-5H3
InChIKeyPQDXNFGLOZVTTH-UHFFFAOYSA-N
XLogP3.83
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-ethoxy-2-prop-2-enylphenoxy)pentan-2-one
CID 64697737
1,4-diethoxy-2-prop-2-enylbenzene
CID 24770734
(2R)-2-(4-ethoxy-2-prop-2-enylphenoxy)propanoic acid
CID 30045988
4-ethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene
CID 24770219
N-[2-(3-ethoxyphenoxy)propyl]-2-methylpropan-1-amine
CID 55073189
2-(4-ethoxy-2-prop-2-enylphenoxy)-2-fluoroacetic acid
CID 79356851
3-(4-ethoxy-2-prop-2-enylphenoxy)propan-1-amine
CID 62598605
4-ethoxy-2-methoxy-1-prop-2-enylbenzene
CID 24770498
N-[2-(2,4-dibromophenoxy)propyl]-2-methylpropan-1-amine
CID 63516536
N-[2-(2,4-difluorophenoxy)propyl]-2-methylpropan-1-amine
CID 62450002
2-(3-ethoxyphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 62441022
N-[3-methoxy-2-(2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine
CID 103228644

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxy-2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(4-ethoxy-2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine (CID 63515567) is N-[2-(4-ethoxy-2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(4-ethoxy-2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(4-ethoxy-2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine is C=CCc1cc(OCC)ccc1OC(C)CNCC(C)C.
What is the InChIKey of N-[2-(4-ethoxy-2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine?
The InChIKey is PQDXNFGLOZVTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-6-8-16-11-17(20-7-2)9-10-18(16)21-15(5)13-19-12-14(3)4/h6,9-11,14-15,19H,1,7-8,12-13H2,2-5H3.
What are the key properties of N-[2-(4-ethoxy-2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine?
N-[2-(4-ethoxy-2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.83, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxy-2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63515567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).