(1R)-2-cyclopropyl-1-(3,4-dimethoxyphenyl)ethanamine;hydrochloride

C13H20ClNO2 — CID 171199341

IUPAC(1R)-2-cyclopropyl-1-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
SMILESCOc1ccc([C@H](N)CC2CC2)cc1OC.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-15-12-6-5-10(8-13(12)16-2)11(14)7-9-3-4-9;/h5-6,8-9,11H,3-4,7,14H2,1-2H3;1H/t11-;/m1./s1
InChIKeyLLTLYEMUPGFQSL-RFVHGSKJSA-N
MW257.76 g/mol
LogP2.93
Rot. Bonds5

About (1R)-2-cyclopropyl-1-(3,4-dimethoxyphenyl)ethanamine;hydrochloride

(1R)-2-cyclopropyl-1-(3,4-dimethoxyphenyl)ethanamine;hydrochloride (PubChem CID 171199341) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is (1R)-2-cyclopropyl-1-(3,4-dimethoxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-2-cyclopropyl-1-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
PubChem CID171199341
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name(1R)-2-cyclopropyl-1-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
SMILESCOc1ccc([C@H](N)CC2CC2)cc1OC.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-15-12-6-5-10(8-13(12)16-2)11(14)7-9-3-4-9;/h5-6,8-9,11H,3-4,7,14H2,1-2H3;1H/t11-;/m1./s1
InChIKeyLLTLYEMUPGFQSL-RFVHGSKJSA-N
XLogP2.93
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 94248825
2-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 112693539
(1S)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride
CID 171219140
1-(3,4-dimethoxyphenyl)-2-piperidin-3-ylethanamine
CID 116936338
(1R)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 171199612
1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 22669212
1-(4-chloro-3-methoxyphenyl)-2-cyclobutylethanamine
CID 103169066
(1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride
CID 171200883
1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
CID 14816116
(1R)-2-cyclopropyl-1-(2,6-dimethoxyphenyl)ethanamine;hydrochloride
CID 171201176
3-[amino-(3,4-dimethoxyphenyl)methyl]cyclobutan-1-amine
CID 116937304
(1R)-1-(3,4-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171199339

Frequently Asked Questions

What is the IUPAC name of (1R)-2-cyclopropyl-1-(3,4-dimethoxyphenyl)ethanamine;hydrochloride?
The IUPAC name of (1R)-2-cyclopropyl-1-(3,4-dimethoxyphenyl)ethanamine;hydrochloride (CID 171199341) is (1R)-2-cyclopropyl-1-(3,4-dimethoxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1R)-2-cyclopropyl-1-(3,4-dimethoxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for (1R)-2-cyclopropyl-1-(3,4-dimethoxyphenyl)ethanamine;hydrochloride is COc1ccc([C@H](N)CC2CC2)cc1OC.Cl.
What is the InChIKey of (1R)-2-cyclopropyl-1-(3,4-dimethoxyphenyl)ethanamine;hydrochloride?
The InChIKey is LLTLYEMUPGFQSL-RFVHGSKJSA-N. The full InChI is InChI=1S/C13H19NO2.ClH/c1-15-12-6-5-10(8-13(12)16-2)11(14)7-9-3-4-9;/h5-6,8-9,11H,3-4,7,14H2,1-2H3;1H/t11-;/m1./s1.
What are the key properties of (1R)-2-cyclopropyl-1-(3,4-dimethoxyphenyl)ethanamine;hydrochloride?
(1R)-2-cyclopropyl-1-(3,4-dimethoxyphenyl)ethanamine;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-cyclopropyl-1-(3,4-dimethoxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 171199341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).