1-(3-methylphenyl)-N-(2-methylpropoxy)ethenamine

C13H19NO — CID 57050061

IUPAC1-(3-methylphenyl)-N-(2-methylpropoxy)ethenamine
SMILESC=C(NOCC(C)C)c1cccc(C)c1
InChIInChI=1S/C13H19NO/c1-10(2)9-15-14-12(4)13-7-5-6-11(3)8-13/h5-8,10,14H,4,9H2,1-3H3
InChIKeyDVCWSKLRAOBXRA-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.14
Rot. Bonds5

About 1-(3-methylphenyl)-N-(2-methylpropoxy)ethenamine

1-(3-methylphenyl)-N-(2-methylpropoxy)ethenamine (PubChem CID 57050061) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-(2-methylpropoxy)ethenamine.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-(2-methylpropoxy)ethenamine
PubChem CID57050061
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(3-methylphenyl)-N-(2-methylpropoxy)ethenamine
SMILESC=C(NOCC(C)C)c1cccc(C)c1
InChIInChI=1S/C13H19NO/c1-10(2)9-15-14-12(4)13-7-5-6-11(3)8-13/h5-8,10,14H,4,9H2,1-3H3
InChIKeyDVCWSKLRAOBXRA-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzyl(ethoxy)amine
CID 18794272
n-(4-Fluorobenzyl)-o-isobutyl-hydroxylamine
CID 21947412
Benzyl(2-methylpropoxy)amine hydrochloride
CID 121552992
Phenyloxazine
CID 53643691
1-phenyl-N-propoxymethanamine
CID 53895948
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
1-(2,4-difluorophenyl)-N-methoxyethenamine
CID 57050334
1-(3,4-difluorophenyl)-N-methoxyethenamine
CID 57058181

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-(2-methylpropoxy)ethenamine?
The IUPAC name of 1-(3-methylphenyl)-N-(2-methylpropoxy)ethenamine (CID 57050061) is 1-(3-methylphenyl)-N-(2-methylpropoxy)ethenamine.
What is the SMILES notation for 1-(3-methylphenyl)-N-(2-methylpropoxy)ethenamine?
The canonical SMILES for 1-(3-methylphenyl)-N-(2-methylpropoxy)ethenamine is C=C(NOCC(C)C)c1cccc(C)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-(2-methylpropoxy)ethenamine?
The InChIKey is DVCWSKLRAOBXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(2)9-15-14-12(4)13-7-5-6-11(3)8-13/h5-8,10,14H,4,9H2,1-3H3.
What are the key properties of 1-(3-methylphenyl)-N-(2-methylpropoxy)ethenamine?
1-(3-methylphenyl)-N-(2-methylpropoxy)ethenamine has a molecular weight of 205.30 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 1-(3-methylphenyl)-N-(2-methylpropoxy)ethenamine is sourced from PubChem (CID 57050061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).