(E)-N-(2-methoxyethyl)-4-(2-propoxyphenyl)pent-3-en-1-amine

C17H27NO2 — CID 104663334

IUPAC(E)-N-(2-methoxyethyl)-4-(2-propoxyphenyl)pent-3-en-1-amine
SMILESCCCOc1ccccc1/C(C)=C/CCNCCOC
InChIInChI=1S/C17H27NO2/c1-4-13-20-17-10-6-5-9-16(17)15(2)8-7-11-18-12-14-19-3/h5-6,8-10,18H,4,7,11-14H2,1-3H3/b15-8+
InChIKeyYKKPKJOMWCBBBF-OVCLIPMQSA-N
MW277.41 g/mol
LogP3.50
Rot. Bonds10

About (E)-N-(2-methoxyethyl)-4-(2-propoxyphenyl)pent-3-en-1-amine

(E)-N-(2-methoxyethyl)-4-(2-propoxyphenyl)pent-3-en-1-amine (PubChem CID 104663334) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (E)-N-(2-methoxyethyl)-4-(2-propoxyphenyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-(2-methoxyethyl)-4-(2-propoxyphenyl)pent-3-en-1-amine
PubChem CID104663334
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(E)-N-(2-methoxyethyl)-4-(2-propoxyphenyl)pent-3-en-1-amine
SMILESCCCOc1ccccc1/C(C)=C/CCNCCOC
InChIInChI=1S/C17H27NO2/c1-4-13-20-17-10-6-5-9-16(17)15(2)8-7-11-18-12-14-19-3/h5-6,8-10,18H,4,7,11-14H2,1-3H3/b15-8+
InChIKeyYKKPKJOMWCBBBF-OVCLIPMQSA-N
XLogP3.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-5-chloropent-2-en-2-yl]-2-(2-methoxyethoxy)benzene
CID 104663300
(Z)-4-(5-fluoro-2-methoxyphenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 82782510
4-(2-chlorophenyl)-N-propylpent-3-en-1-amine
CID 79597836
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
1-(5-chloropent-2-en-2-yl)-2-ethoxybenzene
CID 79593117
2-propoxy-N-propylbenzamide
CID 58831728
2-[2-(3-methoxypropylamino)ethoxy]benzoic acid
CID 103237137
N-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)pent-3-en-1-amine
CID 79607909
N-ethyl-2-(2-propoxyphenoxy)ethanamine
CID 6459111
3-(2-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 55093398
N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-2-methoxyethanamine
CID 2280426
N-(2-methoxyethyl)-4-methyl-5-quinolin-4-ylpent-3-en-1-amine
CID 79609369

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methoxyethyl)-4-(2-propoxyphenyl)pent-3-en-1-amine?
The IUPAC name of (E)-N-(2-methoxyethyl)-4-(2-propoxyphenyl)pent-3-en-1-amine (CID 104663334) is (E)-N-(2-methoxyethyl)-4-(2-propoxyphenyl)pent-3-en-1-amine.
What is the SMILES notation for (E)-N-(2-methoxyethyl)-4-(2-propoxyphenyl)pent-3-en-1-amine?
The canonical SMILES for (E)-N-(2-methoxyethyl)-4-(2-propoxyphenyl)pent-3-en-1-amine is CCCOc1ccccc1/C(C)=C/CCNCCOC.
What is the InChIKey of (E)-N-(2-methoxyethyl)-4-(2-propoxyphenyl)pent-3-en-1-amine?
The InChIKey is YKKPKJOMWCBBBF-OVCLIPMQSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-13-20-17-10-6-5-9-16(17)15(2)8-7-11-18-12-14-19-3/h5-6,8-10,18H,4,7,11-14H2,1-3H3/b15-8+.
What are the key properties of (E)-N-(2-methoxyethyl)-4-(2-propoxyphenyl)pent-3-en-1-amine?
(E)-N-(2-methoxyethyl)-4-(2-propoxyphenyl)pent-3-en-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.50, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methoxyethyl)-4-(2-propoxyphenyl)pent-3-en-1-amine is sourced from PubChem (CID 104663334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).