N-(2-phenoxyethoxymethyl)-2-phenyl-N-prop-2-enylpropan-2-amine;hydrochloride

C21H28ClNO2 — CID 173423849

IUPACN-(2-phenoxyethoxymethyl)-2-phenyl-N-prop-2-enylpropan-2-amine;hydrochloride
SMILESC=CCN(COCCOc1ccccc1)C(C)(C)c1ccccc1.Cl
InChIInChI=1S/C21H27NO2.ClH/c1-4-15-22(21(2,3)19-11-7-5-8-12-19)18-23-16-17-24-20-13-9-6-10-14-20;/h4-14H,1,15-18H2,2-3H3;1H
InChIKeyHYFIPMRRAPRNRR-UHFFFAOYSA-N
MW361.91 g/mol
LogP4.88
Rot. Bonds10

About N-(2-phenoxyethoxymethyl)-2-phenyl-N-prop-2-enylpropan-2-amine;hydrochloride

N-(2-phenoxyethoxymethyl)-2-phenyl-N-prop-2-enylpropan-2-amine;hydrochloride (PubChem CID 173423849) has the molecular formula C21H28ClNO2 and a molecular weight of 361.91 g/mol. Its IUPAC name is N-(2-phenoxyethoxymethyl)-2-phenyl-N-prop-2-enylpropan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-phenoxyethoxymethyl)-2-phenyl-N-prop-2-enylpropan-2-amine;hydrochloride
PubChem CID173423849
Molecular FormulaC21H28ClNO2
Molecular Weight361.91 g/mol
Exact Mass361.18
IUPAC NameN-(2-phenoxyethoxymethyl)-2-phenyl-N-prop-2-enylpropan-2-amine;hydrochloride
SMILESC=CCN(COCCOc1ccccc1)C(C)(C)c1ccccc1.Cl
InChIInChI=1S/C21H27NO2.ClH/c1-4-15-22(21(2,3)19-11-7-5-8-12-19)18-23-16-17-24-20-13-9-6-10-14-20;/h4-14H,1,15-18H2,2-3H3;1H
InChIKeyHYFIPMRRAPRNRR-UHFFFAOYSA-N
XLogP4.88
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.91
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(2-methylphenoxy)ethoxy]ethyl]-2-phenyl-N-prop-2-enylpropan-2-amine;hydrochloride
CID 173444405
N-benzyl-2-methyl-N-prop-2-enylpropan-2-amine;hydrochloride
CID 173049052
N-methyl-4-phenoxy-N-prop-2-enylbutan-1-amine
CID 141046921
1-but-3-enoxy-4-[1-[4-[4-[4-[1-(4-but-3-enoxyphenyl)-1-phenylethyl]phenoxy]butoxy]phenyl]-1-phenylethyl]benzene
CID 158223803
dimethyl-[2-(2-phenoxyethoxy)ethyl]-prop-2-enylazanium chloride
CID 67900173
2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;prop-2-enoic acid
CID 162233537
1,4-bis(2-phenoxyethoxymethyl)benzene
CID 19801574
2-methyl-1-(2-phenoxyethoxy)butan-2-amine
CID 64573594
2,2-dimethyl-3-(2-phenoxyethoxy)propanoic acid
CID 79623125
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 154643071
3-[4-(2-phenylpropan-2-yl)phenoxy]-N-prop-2-enylpropan-1-amine
CID 2581421
penta-1,4-diene;pentoxybenzene
CID 174999180

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethoxymethyl)-2-phenyl-N-prop-2-enylpropan-2-amine;hydrochloride?
The IUPAC name of N-(2-phenoxyethoxymethyl)-2-phenyl-N-prop-2-enylpropan-2-amine;hydrochloride (CID 173423849) is N-(2-phenoxyethoxymethyl)-2-phenyl-N-prop-2-enylpropan-2-amine;hydrochloride.
What is the SMILES notation for N-(2-phenoxyethoxymethyl)-2-phenyl-N-prop-2-enylpropan-2-amine;hydrochloride?
The canonical SMILES for N-(2-phenoxyethoxymethyl)-2-phenyl-N-prop-2-enylpropan-2-amine;hydrochloride is C=CCN(COCCOc1ccccc1)C(C)(C)c1ccccc1.Cl.
What is the InChIKey of N-(2-phenoxyethoxymethyl)-2-phenyl-N-prop-2-enylpropan-2-amine;hydrochloride?
The InChIKey is HYFIPMRRAPRNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2.ClH/c1-4-15-22(21(2,3)19-11-7-5-8-12-19)18-23-16-17-24-20-13-9-6-10-14-20;/h4-14H,1,15-18H2,2-3H3;1H.
What are the key properties of N-(2-phenoxyethoxymethyl)-2-phenyl-N-prop-2-enylpropan-2-amine;hydrochloride?
N-(2-phenoxyethoxymethyl)-2-phenyl-N-prop-2-enylpropan-2-amine;hydrochloride has a molecular weight of 361.91 g/mol, XLogP of 4.88, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethoxymethyl)-2-phenyl-N-prop-2-enylpropan-2-amine;hydrochloride is sourced from PubChem (CID 173423849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).