(Z)-1-(3-methylphenyl)-N-propoxyprop-1-en-1-amine

C13H19NO — CID 57243652

IUPAC(Z)-1-(3-methylphenyl)-N-propoxyprop-1-en-1-amine
SMILESC/C=C(\NOCCC)c1cccc(C)c1
InChIInChI=1S/C13H19NO/c1-4-9-15-14-13(5-2)12-8-6-7-11(3)10-12/h5-8,10,14H,4,9H2,1-3H3/b13-5-
InChIKeyQOCZOOIARNBFRD-ACAGNQJTSA-N
MW205.30 g/mol
LogP3.29
Rot. Bonds5

About (Z)-1-(3-methylphenyl)-N-propoxyprop-1-en-1-amine

(Z)-1-(3-methylphenyl)-N-propoxyprop-1-en-1-amine (PubChem CID 57243652) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (Z)-1-(3-methylphenyl)-N-propoxyprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-(3-methylphenyl)-N-propoxyprop-1-en-1-amine
PubChem CID57243652
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(Z)-1-(3-methylphenyl)-N-propoxyprop-1-en-1-amine
SMILESC/C=C(\NOCCC)c1cccc(C)c1
InChIInChI=1S/C13H19NO/c1-4-9-15-14-13(5-2)12-8-6-7-11(3)10-12/h5-8,10,14H,4,9H2,1-3H3/b13-5-
InChIKeyQOCZOOIARNBFRD-ACAGNQJTSA-N
XLogP3.29
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 ≤ 53.29
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 (Z)-1-(3-methylphenyl)-N-propoxyprop-1-en-1-amine?
The IUPAC name of (Z)-1-(3-methylphenyl)-N-propoxyprop-1-en-1-amine (CID 57243652) is (Z)-1-(3-methylphenyl)-N-propoxyprop-1-en-1-amine.
What is the SMILES notation for (Z)-1-(3-methylphenyl)-N-propoxyprop-1-en-1-amine?
The canonical SMILES for (Z)-1-(3-methylphenyl)-N-propoxyprop-1-en-1-amine is C/C=C(\NOCCC)c1cccc(C)c1.
What is the InChIKey of (Z)-1-(3-methylphenyl)-N-propoxyprop-1-en-1-amine?
The InChIKey is QOCZOOIARNBFRD-ACAGNQJTSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-9-15-14-13(5-2)12-8-6-7-11(3)10-12/h5-8,10,14H,4,9H2,1-3H3/b13-5-.
What are the key properties of (Z)-1-(3-methylphenyl)-N-propoxyprop-1-en-1-amine?
(Z)-1-(3-methylphenyl)-N-propoxyprop-1-en-1-amine has a molecular weight of 205.30 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3-methylphenyl)-N-propoxyprop-1-en-1-amine is sourced from PubChem (CID 57243652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).