(1R)-2-cyclopropyl-1-(2,6-dimethoxyphenyl)ethanamine;hydrochloride

C13H20ClNO2 — CID 171201176

IUPAC(1R)-2-cyclopropyl-1-(2,6-dimethoxyphenyl)ethanamine;hydrochloride
SMILESCOc1cccc(OC)c1[C@H](N)CC1CC1.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-15-11-4-3-5-12(16-2)13(11)10(14)8-9-6-7-9;/h3-5,9-10H,6-8,14H2,1-2H3;1H/t10-;/m1./s1
InChIKeyQJGGIGZJSTXDAM-HNCPQSOCSA-N
MW257.76 g/mol
LogP2.93
Rot. Bonds5

About (1R)-2-cyclopropyl-1-(2,6-dimethoxyphenyl)ethanamine;hydrochloride

(1R)-2-cyclopropyl-1-(2,6-dimethoxyphenyl)ethanamine;hydrochloride (PubChem CID 171201176) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is (1R)-2-cyclopropyl-1-(2,6-dimethoxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-2-cyclopropyl-1-(2,6-dimethoxyphenyl)ethanamine;hydrochloride
PubChem CID171201176
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name(1R)-2-cyclopropyl-1-(2,6-dimethoxyphenyl)ethanamine;hydrochloride
SMILESCOc1cccc(OC)c1[C@H](N)CC1CC1.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-15-11-4-3-5-12(16-2)13(11)10(14)8-9-6-7-9;/h3-5,9-10H,6-8,14H2,1-2H3;1H/t10-;/m1./s1
InChIKeyQJGGIGZJSTXDAM-HNCPQSOCSA-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

2-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol
CID 171216296
(1R)-2-cyclopropyl-1-(2-methoxynaphthalen-1-yl)ethanamine;hydrochloride
CID 171212937
2-[(1S)-1-amino-2-cyclopropylethyl]-6-methoxyphenol;hydrochloride
CID 171231890
(1S)-2-cyclopropyl-1-(2,6-difluoro-3-methoxyphenyl)ethanamine;hydrochloride
CID 171235369
(1R)-2-cyclopropyl-1-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
CID 171199341
(S)-cyclopropyl-(2,6-dimethoxyphenyl)methanamine;hydrochloride
CID 171220722
(1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 171201163
(1S)-1-(2,6-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201155
(1S)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride
CID 171219140
(R)-cyclopropyl-(2,6-dimethoxyphenyl)methanamine
CID 171201185
(1S)-2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 94248825
(1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride
CID 171200883

Frequently Asked Questions

What is the IUPAC name of (1R)-2-cyclopropyl-1-(2,6-dimethoxyphenyl)ethanamine;hydrochloride?
The IUPAC name of (1R)-2-cyclopropyl-1-(2,6-dimethoxyphenyl)ethanamine;hydrochloride (CID 171201176) is (1R)-2-cyclopropyl-1-(2,6-dimethoxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1R)-2-cyclopropyl-1-(2,6-dimethoxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for (1R)-2-cyclopropyl-1-(2,6-dimethoxyphenyl)ethanamine;hydrochloride is COc1cccc(OC)c1[C@H](N)CC1CC1.Cl.
What is the InChIKey of (1R)-2-cyclopropyl-1-(2,6-dimethoxyphenyl)ethanamine;hydrochloride?
The InChIKey is QJGGIGZJSTXDAM-HNCPQSOCSA-N. The full InChI is InChI=1S/C13H19NO2.ClH/c1-15-11-4-3-5-12(16-2)13(11)10(14)8-9-6-7-9;/h3-5,9-10H,6-8,14H2,1-2H3;1H/t10-;/m1./s1.
What are the key properties of (1R)-2-cyclopropyl-1-(2,6-dimethoxyphenyl)ethanamine;hydrochloride?
(1R)-2-cyclopropyl-1-(2,6-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-(2,6-dimethoxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 171201176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).