(1S)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride

C14H22ClNO3 — CID 171219140

IUPAC(1S)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride
SMILESCOc1cc([C@@H](N)CC2CC2)cc(OC)c1OC.Cl
InChIInChI=1S/C14H21NO3.ClH/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;1H/t11-;/m0./s1
InChIKeyGKUGVZOGYSWLNX-MERQFXBCSA-N
MW287.79 g/mol
LogP2.93
Rot. Bonds6

About (1S)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride

(1S)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride (PubChem CID 171219140) has the molecular formula C14H22ClNO3 and a molecular weight of 287.79 g/mol. Its IUPAC name is (1S)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride
PubChem CID171219140
Molecular FormulaC14H22ClNO3
Molecular Weight287.79 g/mol
Exact Mass287.13
IUPAC Name(1S)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride
SMILESCOc1cc([C@@H](N)CC2CC2)cc(OC)c1OC.Cl
InChIInChI=1S/C14H21NO3.ClH/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;1H/t11-;/m0./s1
InChIKeyGKUGVZOGYSWLNX-MERQFXBCSA-N
XLogP2.93
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 171199612
(1R)-2-cyclopropyl-1-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
CID 171199341
4-[(1S)-1-amino-2-cyclopropylethyl]-2-chloro-6-methoxyphenol
CID 171234989
(1S)-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171199595
2-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 112693539
(1R)-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171199597
(1R)-2-fluoro-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 28820340
(R)-cyclopentyl-(3,4,5-trimethoxyphenyl)methanamine;hydrochloride
CID 171199622
(1R)-2-cyclopropyl-1-(2,6-dimethoxyphenyl)ethanamine;hydrochloride
CID 171201176
(S)-cyclopentyl-(3,4,5-trimethoxyphenyl)methanamine;hydrochloride
CID 171219149
(1S)-3,3-difluoro-1-(3,4,5-trimethoxyphenyl)propan-1-amine
CID 171312849
(1S)-2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 94248825

Frequently Asked Questions

What is the IUPAC name of (1S)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride?
The IUPAC name of (1S)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride (CID 171219140) is (1S)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1S)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for (1S)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride is COc1cc([C@@H](N)CC2CC2)cc(OC)c1OC.Cl.
What is the InChIKey of (1S)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride?
The InChIKey is GKUGVZOGYSWLNX-MERQFXBCSA-N. The full InChI is InChI=1S/C14H21NO3.ClH/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;1H/t11-;/m0./s1.
What are the key properties of (1S)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride?
(1S)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride has a molecular weight of 287.79 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 171219140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).