N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride

C12H18ClNO — CID 17123243

IUPACN-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
SMILESC=CCOc1ccccc1CNCC.Cl
InChIInChI=1S/C12H17NO.ClH/c1-3-9-14-12-8-6-5-7-11(12)10-13-4-2;/h3,5-8,13H,1,4,9-10H2,2H3;1H
InChIKeyCQKPMJWEPGTNSA-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.78
Rot. Bonds6

About N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride

N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride (PubChem CID 17123243) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
PubChem CID17123243
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC NameN-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
SMILESC=CCOc1ccccc1CNCC.Cl
InChIInChI=1S/C12H17NO.ClH/c1-3-9-14-12-8-6-5-7-11(12)10-13-4-2;/h3,5-8,13H,1,4,9-10H2,2H3;1H
InChIKeyCQKPMJWEPGTNSA-UHFFFAOYSA-N
XLogP2.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
CID 7937309
N-[(2-prop-2-enoxyphenyl)methyl]but-2-yn-1-amine
CID 115866301
2,2-diethoxy-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 78910495
N-[(2-fluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine
CID 43221042
1,1-dimethyl-2-[(2-prop-2-enoxyphenyl)methyl]hydrazine
CID 83005876
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 7937412
2-ethyl-2-methylsulfanyl-N-[(2-prop-2-enoxyphenyl)methyl]butan-1-amine
CID 103702186
2-butoxy-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 61170859
N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 54849925
N-ethyl-2-(2-prop-2-enoxyphenoxy)ethanamine;hydrochloride
CID 6458959
1-phenyl-2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
CID 43220929

Frequently Asked Questions

What is the IUPAC name of N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride?
The IUPAC name of N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride (CID 17123243) is N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride is C=CCOc1ccccc1CNCC.Cl.
What is the InChIKey of N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride?
The InChIKey is CQKPMJWEPGTNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.ClH/c1-3-9-14-12-8-6-5-7-11(12)10-13-4-2;/h3,5-8,13H,1,4,9-10H2,2H3;1H.
What are the key properties of N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride?
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride has a molecular weight of 227.74 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 17123243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).