2-methyl-3-(4-propan-2-yloxyphenyl)-N-propylprop-2-en-1-amine

C16H25NO — CID 79340910

IUPAC2-methyl-3-(4-propan-2-yloxyphenyl)-N-propylprop-2-en-1-amine
SMILESCCCNCC(C)=Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C16H25NO/c1-5-10-17-12-14(4)11-15-6-8-16(9-7-15)18-13(2)3/h6-9,11,13,17H,5,10,12H2,1-4H3
InChIKeyHLLWUNCYVZXXPC-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.88
Rot. Bonds7

About 2-methyl-3-(4-propan-2-yloxyphenyl)-N-propylprop-2-en-1-amine

2-methyl-3-(4-propan-2-yloxyphenyl)-N-propylprop-2-en-1-amine (PubChem CID 79340910) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-methyl-3-(4-propan-2-yloxyphenyl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-3-(4-propan-2-yloxyphenyl)-N-propylprop-2-en-1-amine
PubChem CID79340910
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-methyl-3-(4-propan-2-yloxyphenyl)-N-propylprop-2-en-1-amine
SMILESCCCNCC(C)=Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C16H25NO/c1-5-10-17-12-14(4)11-15-6-8-16(9-7-15)18-13(2)3/h6-9,11,13,17H,5,10,12H2,1-4H3
InChIKeyHLLWUNCYVZXXPC-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.88
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

N-ethyl-2-methyl-3-(3-propan-2-yloxyphenyl)prop-2-en-1-amine
CID 79340694
N,3-dimethyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine
CID 79339946
3-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methyl-N-propylprop-2-en-1-amine
CID 79343595
3-(3-ethoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79340193
N-(2-methoxyethyl)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-en-1-amine
CID 79337069
3-(3-ethoxy-4-methoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79341431
(E)-2-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)prop-2-en-1-amine
CID 119107756
1-[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]-3-methylbutan-2-ol
CID 109396219
N-tert-butyl-3-methyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine
CID 79342446
3-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]butan-1-amine;hydrochloride
CID 115605434
2-methyl-3-(4-propan-2-yloxyphenyl)-N-propylpropan-1-amine
CID 64664347
1-[[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]methyl]cyclobutan-1-ol
CID 109396186

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-propan-2-yloxyphenyl)-N-propylprop-2-en-1-amine?
The IUPAC name of 2-methyl-3-(4-propan-2-yloxyphenyl)-N-propylprop-2-en-1-amine (CID 79340910) is 2-methyl-3-(4-propan-2-yloxyphenyl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for 2-methyl-3-(4-propan-2-yloxyphenyl)-N-propylprop-2-en-1-amine?
The canonical SMILES for 2-methyl-3-(4-propan-2-yloxyphenyl)-N-propylprop-2-en-1-amine is CCCNCC(C)=Cc1ccc(OC(C)C)cc1.
What is the InChIKey of 2-methyl-3-(4-propan-2-yloxyphenyl)-N-propylprop-2-en-1-amine?
The InChIKey is HLLWUNCYVZXXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-10-17-12-14(4)11-15-6-8-16(9-7-15)18-13(2)3/h6-9,11,13,17H,5,10,12H2,1-4H3.
What are the key properties of 2-methyl-3-(4-propan-2-yloxyphenyl)-N-propylprop-2-en-1-amine?
2-methyl-3-(4-propan-2-yloxyphenyl)-N-propylprop-2-en-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-propan-2-yloxyphenyl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 79340910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).