(2S)-1-(2,5-dimethoxy-4-propylphenyl)propan-2-amine

C14H23NO2 — CID 121489695

IUPAC(2S)-1-(2,5-dimethoxy-4-propylphenyl)propan-2-amine
SMILESCCCc1cc(OC)c(C[C@H](C)N)cc1OC
InChIInChI=1S/C14H23NO2/c1-5-6-11-8-14(17-4)12(7-10(2)15)9-13(11)16-3/h8-10H,5-7,15H2,1-4H3/t10-/m0/s1
InChIKeyUEEAUFJYLUJWQJ-JTQLQIEISA-N
MW237.34 g/mol
LogP2.55
Rot. Bonds6

About (2S)-1-(2,5-dimethoxy-4-propylphenyl)propan-2-amine

(2S)-1-(2,5-dimethoxy-4-propylphenyl)propan-2-amine (PubChem CID 121489695) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (2S)-1-(2,5-dimethoxy-4-propylphenyl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(2,5-dimethoxy-4-propylphenyl)propan-2-amine
PubChem CID121489695
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(2S)-1-(2,5-dimethoxy-4-propylphenyl)propan-2-amine
SMILESCCCc1cc(OC)c(C[C@H](C)N)cc1OC
InChIInChI=1S/C14H23NO2/c1-5-6-11-8-14(17-4)12(7-10(2)15)9-13(11)16-3/h8-10H,5-7,15H2,1-4H3/t10-/m0/s1
InChIKeyUEEAUFJYLUJWQJ-JTQLQIEISA-N
XLogP2.55
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2,5-dimethoxy-4-(11-propoxyundecyl)phenyl]propan-2-amine;1-(2-propoxyethoxy)propane
CID 142098543
1-[2,5-dimethoxy-4-(2-methylsulfinylethyl)phenyl]propan-2-amine
CID 69398597
(2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrobromide
CID 102602641
1-[2,5-dimethoxy-4-(5,5,5-trifluoropentyl)phenyl]propan-2-amine
CID 165123589
1-(2,5-dimethoxy-4-propylphenyl)propan-2-yl carbamate
CID 175601571
1-(2,5-dimethoxy-4-pentylsulfanylphenyl)propan-2-amine
CID 11461761
1-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
CID 170143488
(2S)-1-(4-ethylsulfonyl-2,5-dimethoxyphenyl)propan-2-amine
CID 101190835
(2R)-1-(4-benzyl-2,5-dimethoxyphenyl)propan-2-amine
CID 69398998
1-(4-iodo-2-methoxy-5-methylphenyl)propan-2-amine
CID 167705382
1-(3-bromo-2,4,5-trimethoxyphenyl)propan-2-amine
CID 117489390
1-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-amine
CID 117355444

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,5-dimethoxy-4-propylphenyl)propan-2-amine?
The IUPAC name of (2S)-1-(2,5-dimethoxy-4-propylphenyl)propan-2-amine (CID 121489695) is (2S)-1-(2,5-dimethoxy-4-propylphenyl)propan-2-amine.
What is the SMILES notation for (2S)-1-(2,5-dimethoxy-4-propylphenyl)propan-2-amine?
The canonical SMILES for (2S)-1-(2,5-dimethoxy-4-propylphenyl)propan-2-amine is CCCc1cc(OC)c(C[C@H](C)N)cc1OC.
What is the InChIKey of (2S)-1-(2,5-dimethoxy-4-propylphenyl)propan-2-amine?
The InChIKey is UEEAUFJYLUJWQJ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-6-11-8-14(17-4)12(7-10(2)15)9-13(11)16-3/h8-10H,5-7,15H2,1-4H3/t10-/m0/s1.
What are the key properties of (2S)-1-(2,5-dimethoxy-4-propylphenyl)propan-2-amine?
(2S)-1-(2,5-dimethoxy-4-propylphenyl)propan-2-amine has a molecular weight of 237.34 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,5-dimethoxy-4-propylphenyl)propan-2-amine is sourced from PubChem (CID 121489695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).