N-methyl-1-[2-(prop-2-enoxymethyl)phenyl]methanamine

C12H17NO — CID 62441319

IUPACN-methyl-1-[2-(prop-2-enoxymethyl)phenyl]methanamine
SMILESC=CCOCc1ccccc1CNC
InChIInChI=1S/C12H17NO/c1-3-8-14-10-12-7-5-4-6-11(12)9-13-2/h3-7,13H,1,8-10H2,2H3
InChIKeyOIGRDRNCIAKADW-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.11
Rot. Bonds6

About N-methyl-1-[2-(prop-2-enoxymethyl)phenyl]methanamine

N-methyl-1-[2-(prop-2-enoxymethyl)phenyl]methanamine (PubChem CID 62441319) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-methyl-1-[2-(prop-2-enoxymethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(prop-2-enoxymethyl)phenyl]methanamine
PubChem CID62441319
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-methyl-1-[2-(prop-2-enoxymethyl)phenyl]methanamine
SMILESC=CCOCc1ccccc1CNC
InChIInChI=1S/C12H17NO/c1-3-8-14-10-12-7-5-4-6-11(12)9-13-2/h3-7,13H,1,8-10H2,2H3
InChIKeyOIGRDRNCIAKADW-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.11
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

N-methyl-1-[2-[(2-prop-2-enylphenoxy)methyl]phenyl]methanamine
CID 62523589
1-[2-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine
CID 62455461
1-[2-(2-but-3-enoxyethoxy)phenyl]-N-methylmethanamine
CID 62443049
1-(3-bromo-2-prop-2-enoxyphenyl)-N-methylmethanamine
CID 61390299
N-[[2-(but-2-enoxymethyl)phenyl]methyl]propan-2-amine
CID 76943723
2-[2-(methylaminomethyl)phenyl]acetaldehyde
CID 54060686
N-methyl-1-[2-(2-pent-4-enoxyethoxy)phenyl]methanamine
CID 79114279
tert-butyl 3-[2-(prop-2-enoxymethyl)phenyl]propanoate
CID 21062277
1-(2-iodophenyl)-N-methylmethanamine;hydrochloride
CID 155822596
N-methyl-2-[4-(prop-2-enoxymethyl)phenyl]ethanamine
CID 105348927
1-prop-2-enoxy-2-[(2-prop-2-enoxyphenyl)methoxymethyl]benzene
CID 102306683
methyl 2-(2-prop-2-enoxyethoxymethyl)benzoate
CID 145437677

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(prop-2-enoxymethyl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[2-(prop-2-enoxymethyl)phenyl]methanamine (CID 62441319) is N-methyl-1-[2-(prop-2-enoxymethyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(prop-2-enoxymethyl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(prop-2-enoxymethyl)phenyl]methanamine is C=CCOCc1ccccc1CNC.
What is the InChIKey of N-methyl-1-[2-(prop-2-enoxymethyl)phenyl]methanamine?
The InChIKey is OIGRDRNCIAKADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-8-14-10-12-7-5-4-6-11(12)9-13-2/h3-7,13H,1,8-10H2,2H3.
What are the key properties of N-methyl-1-[2-(prop-2-enoxymethyl)phenyl]methanamine?
N-methyl-1-[2-(prop-2-enoxymethyl)phenyl]methanamine has a molecular weight of 191.27 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(prop-2-enoxymethyl)phenyl]methanamine is sourced from PubChem (CID 62441319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).