N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methylpropan-1-amine

C18H29NO2 — CID 114471621

IUPACN-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESC=C(C)CCOc1c(CNCC(C)C)cccc1OCC
InChIInChI=1S/C18H29NO2/c1-6-20-17-9-7-8-16(13-19-12-15(4)5)18(17)21-11-10-14(2)3/h7-9,15,19H,2,6,10-13H2,1,3-5H3
InChIKeyYLWBRBBUKHXJTM-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.18
Rot. Bonds10

About N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methylpropan-1-amine

N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 114471621) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID114471621
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESC=C(C)CCOc1c(CNCC(C)C)cccc1OCC
InChIInChI=1S/C18H29NO2/c1-6-20-17-9-7-8-16(13-19-12-15(4)5)18(17)21-11-10-14(2)3/h7-9,15,19H,2,6,10-13H2,1,3-5H3
InChIKeyYLWBRBBUKHXJTM-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
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

2-[2-ethoxy-6-[(2-methylpropylamino)methyl]phenoxy]ethanol
CID 63057479
N-[[2-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine
CID 63057630
N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methoxyethanamine
CID 114471622
N-[[3-ethoxy-2-(2-methylidenebutoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 66046626
N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine
CID 114471447
1-[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]butan-2-amine
CID 114476278
N-[(2,3-diethoxyphenyl)methyl]ethanamine
CID 43278924
N-[(2-hexoxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63487393
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17206183
2-methyl-N-[[2-(3-methylbut-3-enoxymethyl)phenyl]methyl]propan-1-amine
CID 114470753
N-[[2-(ethoxymethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 65369404
methyl 4-[2-ethoxy-6-(ethylaminomethyl)phenoxy]butanoate
CID 60880960

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methylpropan-1-amine (CID 114471621) is N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methylpropan-1-amine is C=C(C)CCOc1c(CNCC(C)C)cccc1OCC.
What is the InChIKey of N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is YLWBRBBUKHXJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-6-20-17-9-7-8-16(13-19-12-15(4)5)18(17)21-11-10-14(2)3/h7-9,15,19H,2,6,10-13H2,1,3-5H3.
What are the key properties of N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methylpropan-1-amine?
N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.18, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114471621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).