1-(3-methylphenyl)-N-propoxyethenamine

C12H17NO — CID 57244630

IUPAC1-(3-methylphenyl)-N-propoxyethenamine
SMILESC=C(NOCCC)c1cccc(C)c1
InChIInChI=1S/C12H17NO/c1-4-8-14-13-11(3)12-7-5-6-10(2)9-12/h5-7,9,13H,3-4,8H2,1-2H3
InChIKeyRKJSUCQFUNJYDC-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.90
Rot. Bonds5

About 1-(3-methylphenyl)-N-propoxyethenamine

1-(3-methylphenyl)-N-propoxyethenamine (PubChem CID 57244630) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-propoxyethenamine.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-propoxyethenamine
PubChem CID57244630
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(3-methylphenyl)-N-propoxyethenamine
SMILESC=C(NOCCC)c1cccc(C)c1
InChIInChI=1S/C12H17NO/c1-4-8-14-13-11(3)12-7-5-6-10(2)9-12/h5-7,9,13H,3-4,8H2,1-2H3
InChIKeyRKJSUCQFUNJYDC-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzyl(ethoxy)amine
CID 18794272
Benzyl(2-methylpropoxy)amine hydrochloride
CID 121552992
N-Ethoxybenzhydrylamine
CID 53308549
Phenyloxazine
CID 53643691
1-phenyl-N-propoxymethanamine
CID 53895948
Amino-phenylpropene
CID 69723665
1-(4-Fluoro-3-methylphenyl)ethenamine
CID 22980809
N-[1-(2-fluoro-5-methylphenyl)ethenyl]hydroxylamine
CID 23394254
N-methoxy-1-[3-(trifluoromethyl)phenyl]ethenamine
CID 56978932
2-(4-fluorophenyl)-N-methoxy-1-phenylethenamine
CID 56985679
3,3,3-trifluoro-1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine
CID 57025597
1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 57046147

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-propoxyethenamine?
The IUPAC name of 1-(3-methylphenyl)-N-propoxyethenamine (CID 57244630) is 1-(3-methylphenyl)-N-propoxyethenamine.
What is the SMILES notation for 1-(3-methylphenyl)-N-propoxyethenamine?
The canonical SMILES for 1-(3-methylphenyl)-N-propoxyethenamine is C=C(NOCCC)c1cccc(C)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-propoxyethenamine?
The InChIKey is RKJSUCQFUNJYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-8-14-13-11(3)12-7-5-6-10(2)9-12/h5-7,9,13H,3-4,8H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)-N-propoxyethenamine?
1-(3-methylphenyl)-N-propoxyethenamine has a molecular weight of 191.27 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-propoxyethenamine is sourced from PubChem (CID 57244630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).