2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine

C14H21NO — CID 7937412

IUPAC2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
SMILESC=CCOc1ccccc1CNC(C)(C)C
InChIInChI=1S/C14H21NO/c1-5-10-16-13-9-7-6-8-12(13)11-15-14(2,3)4/h5-9,15H,1,10-11H2,2-4H3
InChIKeyIOYKHWSSEISQIF-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.14
Rot. Bonds5

About 2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine

2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine (PubChem CID 7937412) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
PubChem CID7937412
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
SMILESC=CCOc1ccccc1CNC(C)(C)C
InChIInChI=1S/C14H21NO/c1-5-10-16-13-9-7-6-8-12(13)11-15-14(2,3)4/h5-9,15H,1,10-11H2,2-4H3
InChIKeyIOYKHWSSEISQIF-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propane-1,3-diol
CID 7935968
N-[[2-(3-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 76983308
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
1,1-dimethyl-2-[(2-prop-2-enoxyphenyl)methyl]hydrazine
CID 83005876
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
CID 17123243
2-methyl-2-methylsulfanyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 115664554
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]pentan-3-amine
CID 54954351
(1R)-1-phenyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 8004461
N-[[2-(3,3-dimethylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63486343
2-methylsulfanyl-N-[(2-prop-2-enoxyphenyl)methyl]aniline
CID 43780942
N-[(2-prop-2-enoxyphenyl)methyl]but-2-yn-1-amine
CID 115866301
2,6-dichloro-N-[(2-prop-2-enoxyphenyl)methyl]aniline
CID 65467216

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine (CID 7937412) is 2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine is C=CCOc1ccccc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine?
The InChIKey is IOYKHWSSEISQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-10-16-13-9-7-6-8-12(13)11-15-14(2,3)4/h5-9,15H,1,10-11H2,2-4H3.
What are the key properties of 2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine?
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine has a molecular weight of 219.33 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 7937412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).