(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine

C14H23NO2 — CID 93079729

IUPAC(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine
SMILESCCCN[C@@H](CC)c1ccc(OC)cc1OC
InChIInChI=1S/C14H23NO2/c1-5-9-15-13(6-2)12-8-7-11(16-3)10-14(12)17-4/h7-8,10,13,15H,5-6,9H2,1-4H3/t13-/m0/s1
InChIKeyWZXXIGFXMWZIEU-ZDUSSCGKSA-N
MW237.34 g/mol
LogP3.15
Rot. Bonds7

About (1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine

(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine (PubChem CID 93079729) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine
PubChem CID93079729
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine
SMILESCCCN[C@@H](CC)c1ccc(OC)cc1OC
InChIInChI=1S/C14H23NO2/c1-5-9-15-13(6-2)12-8-7-11(16-3)10-14(12)17-4/h7-8,10,13,15H,5-6,9H2,1-4H3/t13-/m0/s1
InChIKeyWZXXIGFXMWZIEU-ZDUSSCGKSA-N
XLogP3.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 43496064
1-(2-bromo-4-methoxyphenyl)-N-propylpropan-1-amine
CID 60787472
N-[1-(2,4-dimethoxyphenyl)-2-ethylsulfonylethyl]propan-1-amine
CID 64644798
1-(2,4-dimethoxyphenyl)-3-methylidene-N-propylpentan-1-amine
CID 105006124
3-(2,4-dimethoxyphenyl)-N-propylbutan-2-amine
CID 66438971
N-[2-cyclobutyl-1-(2,4-dimethoxyphenyl)ethyl]propan-1-amine
CID 115863794
N-[1-(2,4-dimethoxyphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine
CID 64656011
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
1-(2,4-dimethoxyphenyl)-N-propylhex-5-yn-1-amine
CID 105034068
1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43496056
2-(2,4-dimethoxyphenyl)-N-propylhexan-3-amine
CID 83050394
1-(2,5-dimethoxyphenyl)-3-ethyl-N-propylpentan-1-amine
CID 105028317

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine?
The IUPAC name of (1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine (CID 93079729) is (1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine.
What is the SMILES notation for (1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine?
The canonical SMILES for (1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine is CCCN[C@@H](CC)c1ccc(OC)cc1OC.
What is the InChIKey of (1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine?
The InChIKey is WZXXIGFXMWZIEU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-9-15-13(6-2)12-8-7-11(16-3)10-14(12)17-4/h7-8,10,13,15H,5-6,9H2,1-4H3/t13-/m0/s1.
What are the key properties of (1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine?
(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 93079729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).