(1R)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine

C14H21NO3 — CID 171199612

IUPAC(1R)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine
SMILESCOc1cc([C@H](N)CC2CC2)cc(OC)c1OC
InChIInChI=1S/C14H21NO3/c1-16-12-7-10(11(15)6-9-4-5-9)8-13(17-2)14(12)18-3/h7-9,11H,4-6,15H2,1-3H3/t11-/m1/s1
InChIKeyXBYGFXOQICTTHS-LLVKDONJSA-N
MW251.33 g/mol
LogP2.51
Rot. Bonds6

About (1R)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine

(1R)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine (PubChem CID 171199612) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (1R)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine
PubChem CID171199612
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name(1R)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine
SMILESCOc1cc([C@H](N)CC2CC2)cc(OC)c1OC
InChIInChI=1S/C14H21NO3/c1-16-12-7-10(11(15)6-9-4-5-9)8-13(17-2)14(12)18-3/h7-9,11H,4-6,15H2,1-3H3/t11-/m1/s1
InChIKeyXBYGFXOQICTTHS-LLVKDONJSA-N
XLogP2.51
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride
CID 171219140
(1R)-2-cyclopropyl-1-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
CID 171199341
4-[(1S)-1-amino-2-cyclopropylethyl]-2-chloro-6-methoxyphenol
CID 171234989
2-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 112693539
(1R)-2-fluoro-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 28820340
(1S)-3,3-difluoro-1-(3,4,5-trimethoxyphenyl)propan-1-amine
CID 171312849
(1S)-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171199595
(1S)-2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 94248825
(S)-cyclobutyl-(3,4,5-trimethoxyphenyl)methanamine
CID 171219146
5-[(2S)-1-cyclohexylpropan-2-yl]-1,2,3-trimethoxybenzene
CID 139373079
4-[(1S)-1-amino-2-cyclopropylethyl]-2-methoxy-6-nitrophenol
CID 171227667
[1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropylethyl]hydrazine
CID 105204535

Frequently Asked Questions

What is the IUPAC name of (1R)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine?
The IUPAC name of (1R)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine (CID 171199612) is (1R)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine?
The canonical SMILES for (1R)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine is COc1cc([C@H](N)CC2CC2)cc(OC)c1OC.
What is the InChIKey of (1R)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine?
The InChIKey is XBYGFXOQICTTHS-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21NO3/c1-16-12-7-10(11(15)6-9-4-5-9)8-13(17-2)14(12)18-3/h7-9,11H,4-6,15H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine?
(1R)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine has a molecular weight of 251.33 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine is sourced from PubChem (CID 171199612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).