N-[(2-ethenylphenyl)methyl]-3-methoxypropan-1-amine

C13H19NO — CID 66909203

IUPACN-[(2-ethenylphenyl)methyl]-3-methoxypropan-1-amine
SMILESC=Cc1ccccc1CNCCCOC
InChIInChI=1S/C13H19NO/c1-3-12-7-4-5-8-13(12)11-14-9-6-10-15-2/h3-5,7-8,14H,1,6,9-11H2,2H3
InChIKeyKPSLARQXWBHOTF-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.46
Rot. Bonds7

About N-[(2-ethenylphenyl)methyl]-3-methoxypropan-1-amine

N-[(2-ethenylphenyl)methyl]-3-methoxypropan-1-amine (PubChem CID 66909203) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[(2-ethenylphenyl)methyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[(2-ethenylphenyl)methyl]-3-methoxypropan-1-amine
PubChem CID66909203
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-[(2-ethenylphenyl)methyl]-3-methoxypropan-1-amine
SMILESC=Cc1ccccc1CNCCCOC
InChIInChI=1S/C13H19NO/c1-3-12-7-4-5-8-13(12)11-14-9-6-10-15-2/h3-5,7-8,14H,1,6,9-11H2,2H3
InChIKeyKPSLARQXWBHOTF-UHFFFAOYSA-N
XLogP2.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethenylphenyl)methyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[(2-ethenylphenyl)methyl]-3-methoxypropan-1-amine (CID 66909203) is N-[(2-ethenylphenyl)methyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[(2-ethenylphenyl)methyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[(2-ethenylphenyl)methyl]-3-methoxypropan-1-amine is C=Cc1ccccc1CNCCCOC.
What is the InChIKey of N-[(2-ethenylphenyl)methyl]-3-methoxypropan-1-amine?
The InChIKey is KPSLARQXWBHOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-12-7-4-5-8-13(12)11-14-9-6-10-15-2/h3-5,7-8,14H,1,6,9-11H2,2H3.
What are the key properties of N-[(2-ethenylphenyl)methyl]-3-methoxypropan-1-amine?
N-[(2-ethenylphenyl)methyl]-3-methoxypropan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethenylphenyl)methyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 66909203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).