N-[3-[2-(methoxymethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine

C15H23NO — CID 79347420

IUPACN-[3-[2-(methoxymethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine
SMILESCOCc1ccccc1C=CCNCC(C)C
InChIInChI=1S/C15H23NO/c1-13(2)11-16-10-6-9-14-7-4-5-8-15(14)12-17-3/h4-9,13,16H,10-12H2,1-3H3
InChIKeyJGQJGHQIPBENJU-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.09
Rot. Bonds7

About N-[3-[2-(methoxymethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine

N-[3-[2-(methoxymethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine (PubChem CID 79347420) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[3-[2-(methoxymethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-[2-(methoxymethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine
PubChem CID79347420
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[3-[2-(methoxymethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine
SMILESCOCc1ccccc1C=CCNCC(C)C
InChIInChI=1S/C15H23NO/c1-13(2)11-16-10-6-9-14-7-4-5-8-15(14)12-17-3/h4-9,13,16H,10-12H2,1-3H3
InChIKeyJGQJGHQIPBENJU-UHFFFAOYSA-N
XLogP3.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.09
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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Related Compounds

2-[(E)-3-(2-methylpropylamino)prop-1-enyl]benzonitrile
CID 107937113
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 50999745
N-[3-(2,5-dimethylphenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 79347970
1-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-3-methylpentan-2-ol
CID 111119048
N-[3-(2,6-dichlorophenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 79347868
2-[[2-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
CID 79338998
1-[[2-(methoxymethyl)phenyl]methylamino]propan-2-ol
CID 60924440
N-[3-(4-bromophenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 79347756
N-[[1-[2-(methoxymethyl)phenyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62763334
2-methyl-N-[3-(2-phenyltriazol-4-yl)prop-2-enyl]propan-1-amine
CID 79347097
N-(2-methoxyethyl)-3-(2-methoxyphenyl)prop-2-en-1-amine
CID 78918220
N-[(E)-3-[3-(difluoromethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine
CID 113329486

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(methoxymethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-[2-(methoxymethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine (CID 79347420) is N-[3-[2-(methoxymethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-[2-(methoxymethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-[2-(methoxymethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine is COCc1ccccc1C=CCNCC(C)C.
What is the InChIKey of N-[3-[2-(methoxymethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine?
The InChIKey is JGQJGHQIPBENJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-13(2)11-16-10-6-9-14-7-4-5-8-15(14)12-17-3/h4-9,13,16H,10-12H2,1-3H3.
What are the key properties of N-[3-[2-(methoxymethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine?
N-[3-[2-(methoxymethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(methoxymethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79347420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).