(E)-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine;hydrochloride

C14H20ClNO — CID 6458174

IUPAC(E)-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine;hydrochloride
SMILESC(=C/c1ccccc1)\CNCC1CCCO1.Cl
InChIInChI=1S/C14H19NO.ClH/c1-2-6-13(7-3-1)8-4-10-15-12-14-9-5-11-16-14;/h1-4,6-8,14-15H,5,9-12H2;1H/b8-4+;
InChIKeyCAWHDSYGPPQXOF-ZFXMFRGYSA-N
MW253.77 g/mol
LogP2.89
Rot. Bonds5

About (E)-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine;hydrochloride

(E)-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine;hydrochloride (PubChem CID 6458174) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is (E)-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(E)-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine;hydrochloride
PubChem CID6458174
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name(E)-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine;hydrochloride
SMILESC(=C/c1ccccc1)\CNCC1CCCO1.Cl
InChIInChI=1S/C14H19NO.ClH/c1-2-6-13(7-3-1)8-4-10-15-12-14-9-5-11-16-14;/h1-4,6-8,14-15H,5,9-12H2;1H/b8-4+;
InChIKeyCAWHDSYGPPQXOF-ZFXMFRGYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Aminomethyl)-5-phenethyltetrahydrofuran
CID 11506691
(3-Fluoro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrobromide
CID 24746777
(4-Chloro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrobromide
CID 24746853
2-Furanmethanamine, N-ethyltetrahydro-alpha-(phenylmethyl)-, (R-(R*,R*))-
CID 71129
1-(2-Phenylethyl)-3-(tetrahydrofuran-2-ylmethyl)thiourea
CID 2918416
(4-Fluoro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrobromide
CID 24746785
(2-Chloro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrobromide
CID 24746786
(2-Fluoro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrobromide
CID 24746787
N-cinnamyl-N-(tetrahydro-2-furanylmethyl)amine
CID 5769213
D-threo-alpha-Benzyl-N-ethyltetrahydrofurfurylamine
CID 253826
Propanamide, N-tetrahydrofurfuryl-3-phenyl-
CID 532826
Furfurylamine, tetrahydro-N-(alpha-methylphenethyl)-, hydrochloride, (+)-
CID 201369

Frequently Asked Questions

What is the IUPAC name of (E)-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine;hydrochloride?
The IUPAC name of (E)-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine;hydrochloride (CID 6458174) is (E)-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (E)-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine;hydrochloride?
The canonical SMILES for (E)-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine;hydrochloride is C(=C/c1ccccc1)\CNCC1CCCO1.Cl.
What is the InChIKey of (E)-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine;hydrochloride?
The InChIKey is CAWHDSYGPPQXOF-ZFXMFRGYSA-N. The full InChI is InChI=1S/C14H19NO.ClH/c1-2-6-13(7-3-1)8-4-10-15-12-14-9-5-11-16-14;/h1-4,6-8,14-15H,5,9-12H2;1H/b8-4+;.
What are the key properties of (E)-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine;hydrochloride?
(E)-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine;hydrochloride has a molecular weight of 253.77 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 6458174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).