N-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine

C14H21NO — CID 60883030

IUPACN-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine
SMILESC=C(C)COc1ccccc1C(CC)NC
InChIInChI=1S/C14H21NO/c1-5-13(15-4)12-8-6-7-9-14(12)16-10-11(2)3/h6-9,13,15H,2,5,10H2,1,3-4H3
InChIKeyMAUFQKGXXBFRRD-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.31
Rot. Bonds6

About N-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine

N-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine (PubChem CID 60883030) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine
PubChem CID60883030
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine
SMILESC=C(C)COc1ccccc1C(CC)NC
InChIInChI=1S/C14H21NO/c1-5-13(15-4)12-8-6-7-9-14(12)16-10-11(2)3/h6-9,13,15H,2,5,10H2,1,3-4H3
InChIKeyMAUFQKGXXBFRRD-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.31
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

(1R)-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine
CID 63366086
(1S)-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine
CID 78933036
2-[2-[1-(methylamino)propyl]phenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 61486404
1,2-bis(2-methylprop-2-enoxy)benzene
CID 10878622
1-[2-[2-(dimethylamino)ethoxy]phenyl]-N-methylpropan-1-amine
CID 43279076
1,1,1-trifluoro-3-[2-[1-(methylamino)propyl]phenoxy]propan-2-ol
CID 63899388
1-[2-[2-(diethylamino)ethoxy]phenyl]-N-methylpropan-1-amine
CID 43279062
1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 115894124
N-[1-(2-methoxyphenyl)propyl]-2-methylprop-2-en-1-amine
CID 115900226
N-methyl-1-[2-(2-methylsulfonylethoxy)phenyl]propan-1-amine
CID 54937325
1-[2-(2-butoxyethoxy)phenyl]-N-methylpropan-1-amine
CID 61483273
1-[2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylpropan-1-amine
CID 63500622

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine?
The IUPAC name of N-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine (CID 60883030) is N-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine.
What is the SMILES notation for N-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine?
The canonical SMILES for N-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine is C=C(C)COc1ccccc1C(CC)NC.
What is the InChIKey of N-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine?
The InChIKey is MAUFQKGXXBFRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-13(15-4)12-8-6-7-9-14(12)16-10-11(2)3/h6-9,13,15H,2,5,10H2,1,3-4H3.
What are the key properties of N-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine?
N-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine is sourced from PubChem (CID 60883030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).