N-[1-(2-methoxyphenyl)propyl]-2-methylbut-3-yn-2-amine

C15H21NO — CID 63997272

IUPACN-[1-(2-methoxyphenyl)propyl]-2-methylbut-3-yn-2-amine
SMILESC#CC(C)(C)NC(CC)c1ccccc1OC
InChIInChI=1S/C15H21NO/c1-6-13(16-15(3,4)7-2)12-10-8-9-11-14(12)17-5/h2,8-11,13,16H,6H2,1,3-5H3
InChIKeyAWWRWXNGEDZJOE-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.15
Rot. Bonds5

About N-[1-(2-methoxyphenyl)propyl]-2-methylbut-3-yn-2-amine

N-[1-(2-methoxyphenyl)propyl]-2-methylbut-3-yn-2-amine (PubChem CID 63997272) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)propyl]-2-methylbut-3-yn-2-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)propyl]-2-methylbut-3-yn-2-amine
PubChem CID63997272
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-[1-(2-methoxyphenyl)propyl]-2-methylbut-3-yn-2-amine
SMILESC#CC(C)(C)NC(CC)c1ccccc1OC
InChIInChI=1S/C15H21NO/c1-6-13(16-15(3,4)7-2)12-10-8-9-11-14(12)17-5/h2,8-11,13,16H,6H2,1,3-5H3
InChIKeyAWWRWXNGEDZJOE-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
methyl 2-[1-(2-methoxyphenyl)propylamino]-2-methylpropanoate
CID 43787124
N-[1-(2-ethoxyphenyl)ethyl]-2-methylbut-3-yn-2-amine
CID 63998892
3-[1-(2-methoxyphenyl)propylamino]-2-methylbutan-2-ol
CID 65337762
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
2-ethoxy-N-[1-(2-methoxyphenyl)propyl]-2-methylpropan-1-amine
CID 114940978
1-(2-methoxyphenyl)-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine
CID 103902552
N-benzyl-1-(2-methoxyphenyl)propan-1-amine
CID 43435153
(2R)-2-amino-N-[1-(2-methoxyphenyl)propyl]-3,3-dimethylbutanamide
CID 103928736
3-[[1-(2-methoxyphenyl)propylamino]methyl]pentan-3-ol
CID 65108193
3-[1-(2-methoxyphenyl)propylamino]-N,2,2-trimethylpropanamide
CID 103917225
2-(ethylamino)-N-[1-(2-methoxyphenyl)propyl]-2-methylpropanamide
CID 62833066

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)propyl]-2-methylbut-3-yn-2-amine?
The IUPAC name of N-[1-(2-methoxyphenyl)propyl]-2-methylbut-3-yn-2-amine (CID 63997272) is N-[1-(2-methoxyphenyl)propyl]-2-methylbut-3-yn-2-amine.
What is the SMILES notation for N-[1-(2-methoxyphenyl)propyl]-2-methylbut-3-yn-2-amine?
The canonical SMILES for N-[1-(2-methoxyphenyl)propyl]-2-methylbut-3-yn-2-amine is C#CC(C)(C)NC(CC)c1ccccc1OC.
What is the InChIKey of N-[1-(2-methoxyphenyl)propyl]-2-methylbut-3-yn-2-amine?
The InChIKey is AWWRWXNGEDZJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-6-13(16-15(3,4)7-2)12-10-8-9-11-14(12)17-5/h2,8-11,13,16H,6H2,1,3-5H3.
What are the key properties of N-[1-(2-methoxyphenyl)propyl]-2-methylbut-3-yn-2-amine?
N-[1-(2-methoxyphenyl)propyl]-2-methylbut-3-yn-2-amine has a molecular weight of 231.34 g/mol, XLogP of 3.15, 5 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-methylbut-3-yn-2-amine is sourced from PubChem (CID 63997272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).