(E)-N-(2-methoxyethyl)-4-phenyl-2-propan-2-ylpent-2-en-1-amine

C17H27NO — CID 107293125

IUPAC(E)-N-(2-methoxyethyl)-4-phenyl-2-propan-2-ylpent-2-en-1-amine
SMILESCOCCNC/C(=C/C(C)c1ccccc1)C(C)C
InChIInChI=1S/C17H27NO/c1-14(2)17(13-18-10-11-19-4)12-15(3)16-8-6-5-7-9-16/h5-9,12,14-15,18H,10-11,13H2,1-4H3/b17-12-
InChIKeyYESJGURLEBZSGY-ATVHPVEESA-N
MW261.41 g/mol
LogP3.61
Rot. Bonds8

About (E)-N-(2-methoxyethyl)-4-phenyl-2-propan-2-ylpent-2-en-1-amine

(E)-N-(2-methoxyethyl)-4-phenyl-2-propan-2-ylpent-2-en-1-amine (PubChem CID 107293125) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (E)-N-(2-methoxyethyl)-4-phenyl-2-propan-2-ylpent-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-(2-methoxyethyl)-4-phenyl-2-propan-2-ylpent-2-en-1-amine
PubChem CID107293125
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(E)-N-(2-methoxyethyl)-4-phenyl-2-propan-2-ylpent-2-en-1-amine
SMILESCOCCNC/C(=C/C(C)c1ccccc1)C(C)C
InChIInChI=1S/C17H27NO/c1-14(2)17(13-18-10-11-19-4)12-15(3)16-8-6-5-7-9-16/h5-9,12,14-15,18H,10-11,13H2,1-4H3/b17-12-
InChIKeyYESJGURLEBZSGY-ATVHPVEESA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,6-difluorophenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79347760
N-(2-methoxyethyl)-3-methyl-2-[(3-methylphenyl)methylidene]butan-1-amine
CID 79347991
2-(1-benzothiophen-3-ylmethylidene)-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79339843
2-[(3-bromophenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79347877
3-[[2-(2-methoxyethylamino)acetyl]amino]-3-phenylpropanoic acid
CID 79281949
2-[(3,4-dimethoxyphenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79342914
2-[(5-bromothiophen-2-yl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79339930
4-methoxy-N-(2-methoxyethyl)-3-methyl-2-phenylbutan-1-amine
CID 113473078
N-(2-methoxyethyl)-3-methyl-2-[(2,4,5-trimethylphenyl)methylidene]butan-1-amine
CID 79347105
(2E)-2-[(3,5-difluorophenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 106534568
ethyl (2R)-2-[[2-(2-methoxyethylamino)acetyl]amino]-2-phenylacetate
CID 119706676
N-(2-methoxyethyl)-3-methyl-2-[(3-nitrophenyl)methylidene]butan-1-amine
CID 79339304

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methoxyethyl)-4-phenyl-2-propan-2-ylpent-2-en-1-amine?
The IUPAC name of (E)-N-(2-methoxyethyl)-4-phenyl-2-propan-2-ylpent-2-en-1-amine (CID 107293125) is (E)-N-(2-methoxyethyl)-4-phenyl-2-propan-2-ylpent-2-en-1-amine.
What is the SMILES notation for (E)-N-(2-methoxyethyl)-4-phenyl-2-propan-2-ylpent-2-en-1-amine?
The canonical SMILES for (E)-N-(2-methoxyethyl)-4-phenyl-2-propan-2-ylpent-2-en-1-amine is COCCNC/C(=C/C(C)c1ccccc1)C(C)C.
What is the InChIKey of (E)-N-(2-methoxyethyl)-4-phenyl-2-propan-2-ylpent-2-en-1-amine?
The InChIKey is YESJGURLEBZSGY-ATVHPVEESA-N. The full InChI is InChI=1S/C17H27NO/c1-14(2)17(13-18-10-11-19-4)12-15(3)16-8-6-5-7-9-16/h5-9,12,14-15,18H,10-11,13H2,1-4H3/b17-12-.
What are the key properties of (E)-N-(2-methoxyethyl)-4-phenyl-2-propan-2-ylpent-2-en-1-amine?
(E)-N-(2-methoxyethyl)-4-phenyl-2-propan-2-ylpent-2-en-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methoxyethyl)-4-phenyl-2-propan-2-ylpent-2-en-1-amine is sourced from PubChem (CID 107293125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).