(2R)-1-[4-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-2,5-dimethoxyphenyl]propan-2-amine;hydrochloride

C15H23ClN2O2S — CID 69399740

IUPAC(2R)-1-[4-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-2,5-dimethoxyphenyl]propan-2-amine;hydrochloride
SMILESCOc1cc(C[C@@H](C)N)c(OC)cc1CC1=NCCS1.Cl
InChIInChI=1S/C15H22N2O2S.ClH/c1-10(16)6-11-7-14(19-3)12(8-13(11)18-2)9-15-17-4-5-20-15;/h7-8,10H,4-6,9,16H2,1-3H3;1H/t10-;/m1./s1
InChIKeyAUQOOJJKWXQGEG-HNCPQSOCSA-N
MW330.88 g/mol
LogP2.70
Rot. Bonds6

About (2R)-1-[4-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-2,5-dimethoxyphenyl]propan-2-amine;hydrochloride

(2R)-1-[4-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-2,5-dimethoxyphenyl]propan-2-amine;hydrochloride (PubChem CID 69399740) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is (2R)-1-[4-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-2,5-dimethoxyphenyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2R)-1-[4-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-2,5-dimethoxyphenyl]propan-2-amine;hydrochloride
PubChem CID69399740
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name(2R)-1-[4-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-2,5-dimethoxyphenyl]propan-2-amine;hydrochloride
SMILESCOc1cc(C[C@@H](C)N)c(OC)cc1CC1=NCCS1.Cl
InChIInChI=1S/C15H22N2O2S.ClH/c1-10(16)6-11-7-14(19-3)12(8-13(11)18-2)9-15-17-4-5-20-15;/h7-8,10H,4-6,9,16H2,1-3H3;1H/t10-;/m1./s1
InChIKeyAUQOOJJKWXQGEG-HNCPQSOCSA-N
XLogP2.70
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[4-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-2,5-dimethoxyphenyl]propan-2-amine;hydrochloride with MolForge

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Related Compounds

(2R)-1-(4-benzyl-2,5-dimethoxyphenyl)propan-2-amine
CID 69398998
1-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
CID 170143488
(2S)-1-(2,5-dimethoxy-4-propylphenyl)propan-2-amine
CID 121489695
(2R)-1-[2,5-dimethoxy-4-[(3-methoxyphenyl)methyl]phenyl]propan-2-amine;hydrochloride
CID 69398497
(2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrobromide
CID 102602641
CID 169149573
CID 169149573
1-[2,5-dimethoxy-4-(oxolan-2-ylmethyl)phenyl]propan-2-amine;hydrochloride
CID 69399771
1-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-amine
CID 117355444
1-(4-iodo-2-methoxy-5-methylphenyl)propan-2-amine
CID 167705382
[5-(2-aminopropyl)-4-methoxy-2-methylphenyl] methanesulfonate;hydrochloride
CID 86611659
(2S)-1-(4-ethylsulfonyl-2,5-dimethoxyphenyl)propan-2-amine
CID 101190835
1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)propan-2-amine;hydrochloride
CID 15915348

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-2,5-dimethoxyphenyl]propan-2-amine;hydrochloride?
The IUPAC name of (2R)-1-[4-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-2,5-dimethoxyphenyl]propan-2-amine;hydrochloride (CID 69399740) is (2R)-1-[4-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-2,5-dimethoxyphenyl]propan-2-amine;hydrochloride.
What is the SMILES notation for (2R)-1-[4-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-2,5-dimethoxyphenyl]propan-2-amine;hydrochloride?
The canonical SMILES for (2R)-1-[4-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-2,5-dimethoxyphenyl]propan-2-amine;hydrochloride is COc1cc(C[C@@H](C)N)c(OC)cc1CC1=NCCS1.Cl.
What is the InChIKey of (2R)-1-[4-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-2,5-dimethoxyphenyl]propan-2-amine;hydrochloride?
The InChIKey is AUQOOJJKWXQGEG-HNCPQSOCSA-N. The full InChI is InChI=1S/C15H22N2O2S.ClH/c1-10(16)6-11-7-14(19-3)12(8-13(11)18-2)9-15-17-4-5-20-15;/h7-8,10H,4-6,9,16H2,1-3H3;1H/t10-;/m1./s1.
What are the key properties of (2R)-1-[4-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-2,5-dimethoxyphenyl]propan-2-amine;hydrochloride?
(2R)-1-[4-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-2,5-dimethoxyphenyl]propan-2-amine;hydrochloride has a molecular weight of 330.88 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-2,5-dimethoxyphenyl]propan-2-amine;hydrochloride is sourced from PubChem (CID 69399740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).