N-[1-(2-methoxyphenyl)propyl]-2-methylprop-2-en-1-amine

C14H21NO — CID 115900226

IUPACN-[1-(2-methoxyphenyl)propyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CNC(CC)c1ccccc1OC
InChIInChI=1S/C14H21NO/c1-5-13(15-10-11(2)3)12-8-6-7-9-14(12)16-4/h6-9,13,15H,2,5,10H2,1,3-4H3
InChIKeyREAQCVQEMMHXMW-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.31
Rot. Bonds6

About N-[1-(2-methoxyphenyl)propyl]-2-methylprop-2-en-1-amine

N-[1-(2-methoxyphenyl)propyl]-2-methylprop-2-en-1-amine (PubChem CID 115900226) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)propyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)propyl]-2-methylprop-2-en-1-amine
PubChem CID115900226
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[1-(2-methoxyphenyl)propyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CNC(CC)c1ccccc1OC
InChIInChI=1S/C14H21NO/c1-5-13(15-10-11(2)3)12-8-6-7-9-14(12)16-4/h6-9,13,15H,2,5,10H2,1,3-4H3
InChIKeyREAQCVQEMMHXMW-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

1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 115894124
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
1-[1-(2-methoxyphenyl)propylamino]propan-2-ol
CID 43776231
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
N-[2-[1-(2-methoxyphenyl)propylamino]ethyl]acetamide
CID 43770341
2-[1-(2-methoxyphenyl)propylamino]-N-(2-methylpropyl)acetamide
CID 115900223
N-benzyl-1-(2-methoxyphenyl)propan-1-amine
CID 43435153
3-[[1-(2-methoxyphenyl)propylamino]methyl]pentan-3-ol
CID 65108193
1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114474078
N-(cyclopropylmethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 43693519
3-[1-(2-methoxyphenyl)propylamino]propanoic acid
CID 43774787
5-[1-(2-methoxyphenyl)propylamino]pentan-1-ol
CID 103913240

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)propyl]-2-methylprop-2-en-1-amine?
The IUPAC name of N-[1-(2-methoxyphenyl)propyl]-2-methylprop-2-en-1-amine (CID 115900226) is N-[1-(2-methoxyphenyl)propyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-[1-(2-methoxyphenyl)propyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for N-[1-(2-methoxyphenyl)propyl]-2-methylprop-2-en-1-amine is C=C(C)CNC(CC)c1ccccc1OC.
What is the InChIKey of N-[1-(2-methoxyphenyl)propyl]-2-methylprop-2-en-1-amine?
The InChIKey is REAQCVQEMMHXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-13(15-10-11(2)3)12-8-6-7-9-14(12)16-4/h6-9,13,15H,2,5,10H2,1,3-4H3.
What are the key properties of N-[1-(2-methoxyphenyl)propyl]-2-methylprop-2-en-1-amine?
N-[1-(2-methoxyphenyl)propyl]-2-methylprop-2-en-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-[1-(2-methoxyphenyl)propyl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 115900226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).