1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-2-amine

C16H25NO — CID 79179978

IUPAC1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-2-amine
SMILESC=C(C)CC(Cc1ccccc1OC)NCCC
InChIInChI=1S/C16H25NO/c1-5-10-17-15(11-13(2)3)12-14-8-6-7-9-16(14)18-4/h6-9,15,17H,2,5,10-12H2,1,3-4H3
InChIKeyWDLDCOBVTPMENO-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.57
Rot. Bonds8

About 1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-2-amine

1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-2-amine (PubChem CID 79179978) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-2-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-2-amine
PubChem CID79179978
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-2-amine
SMILESC=C(C)CC(Cc1ccccc1OC)NCCC
InChIInChI=1S/C16H25NO/c1-5-10-17-15(11-13(2)3)12-14-8-6-7-9-16(14)18-4/h6-9,15,17H,2,5,10-12H2,1,3-4H3
InChIKeyWDLDCOBVTPMENO-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.57
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)-3-methylsulfanyl-N-propylpropan-2-amine
CID 55108619
4-ethyl-1-(2-methoxyphenyl)-N-propylhexan-2-amine
CID 82922595
1-(2-methoxyphenyl)-3-phenyl-N-propylpropan-2-amine
CID 61263835
1-(2-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 65131449
1-(2-methoxyphenyl)-4,5,5-trimethyl-N-propylhexan-2-amine
CID 63833464
1-(2-methoxyphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62501184
4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)-N-propylbutan-2-amine
CID 103150052
1-(cyclohexen-1-yl)-3-(2-methoxyphenyl)-N-propylpropan-2-amine
CID 116662039
4-methyl-1-phenoxy-N-propylpent-4-en-2-amine
CID 79180343
1-(2-methoxyphenyl)-N,4-dimethylpentan-2-amine
CID 61066103
1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114474078
3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N-methyl-2-N-propylbutane-2,3-diamine
CID 65487593

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-2-amine?
The IUPAC name of 1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-2-amine (CID 79179978) is 1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-2-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-2-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-2-amine is C=C(C)CC(Cc1ccccc1OC)NCCC.
What is the InChIKey of 1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-2-amine?
The InChIKey is WDLDCOBVTPMENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-10-17-15(11-13(2)3)12-14-8-6-7-9-16(14)18-4/h6-9,15,17H,2,5,10-12H2,1,3-4H3.
What are the key properties of 1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-2-amine?
1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-2-amine has a molecular weight of 247.38 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-2-amine is sourced from PubChem (CID 79179978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).