N-ethyl-1-(3-methoxy-4-methylphenyl)prop-2-en-1-amine

C13H19NO — CID 105000819

IUPACN-ethyl-1-(3-methoxy-4-methylphenyl)prop-2-en-1-amine
SMILESC=CC(NCC)c1ccc(C)c(OC)c1
InChIInChI=1S/C13H19NO/c1-5-12(14-6-2)11-8-7-10(3)13(9-11)15-4/h5,7-9,12,14H,1,6H2,2-4H3
InChIKeyRWTTXCAIPNURMU-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.84
Rot. Bonds5

About N-ethyl-1-(3-methoxy-4-methylphenyl)prop-2-en-1-amine

N-ethyl-1-(3-methoxy-4-methylphenyl)prop-2-en-1-amine (PubChem CID 105000819) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-ethyl-1-(3-methoxy-4-methylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methoxy-4-methylphenyl)prop-2-en-1-amine
PubChem CID105000819
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-ethyl-1-(3-methoxy-4-methylphenyl)prop-2-en-1-amine
SMILESC=CC(NCC)c1ccc(C)c(OC)c1
InChIInChI=1S/C13H19NO/c1-5-12(14-6-2)11-8-7-10(3)13(9-11)15-4/h5,7-9,12,14H,1,6H2,2-4H3
InChIKeyRWTTXCAIPNURMU-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
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

N,3-diethyl-1-(3-methoxy-4-methylphenyl)pentan-1-amine
CID 105028177
N-ethyl-1-(3-methoxy-4-methylphenyl)-3-methylbutan-1-amine
CID 115782382
N-[(3-methoxy-4-methylphenyl)-phenylmethyl]ethanamine
CID 43489086
N-ethyl-1-(3-methoxy-4-methylphenyl)but-3-yn-1-amine
CID 114977449
N-ethyl-1-(3-methoxy-4-methylphenyl)-4-methylpent-4-en-1-amine
CID 105039454
N-ethyl-1-(3-methoxy-4-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 62389756
N-[(2,4-dimethylphenyl)-(3-methoxy-4-methylphenyl)methyl]ethanamine
CID 43489971
1-(4-bromo-3,5-dimethylphenyl)-N-ethylprop-2-en-1-amine
CID 114330650
N-ethyl-1-(3-methoxythiophen-2-yl)prop-2-en-1-amine
CID 105001098
2-(2-bromophenyl)-N-ethyl-1-(3-methoxy-4-methylphenyl)ethanamine
CID 115787144
N-[(3-methoxy-4-methylphenyl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 104991351
N-[cycloheptyl-(3-methoxy-4-methylphenyl)methyl]ethanamine
CID 105027735

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methoxy-4-methylphenyl)prop-2-en-1-amine?
The IUPAC name of N-ethyl-1-(3-methoxy-4-methylphenyl)prop-2-en-1-amine (CID 105000819) is N-ethyl-1-(3-methoxy-4-methylphenyl)prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-1-(3-methoxy-4-methylphenyl)prop-2-en-1-amine?
The canonical SMILES for N-ethyl-1-(3-methoxy-4-methylphenyl)prop-2-en-1-amine is C=CC(NCC)c1ccc(C)c(OC)c1.
What is the InChIKey of N-ethyl-1-(3-methoxy-4-methylphenyl)prop-2-en-1-amine?
The InChIKey is RWTTXCAIPNURMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-5-12(14-6-2)11-8-7-10(3)13(9-11)15-4/h5,7-9,12,14H,1,6H2,2-4H3.
What are the key properties of N-ethyl-1-(3-methoxy-4-methylphenyl)prop-2-en-1-amine?
N-ethyl-1-(3-methoxy-4-methylphenyl)prop-2-en-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methoxy-4-methylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 105000819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).