(1R)-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride

C13H22ClNO3 — CID 171201035

IUPAC(1R)-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride
SMILESCCC[C@@H](N)c1c(OC)cc(OC)cc1OC.Cl
InChIInChI=1S/C13H21NO3.ClH/c1-5-6-10(14)13-11(16-3)7-9(15-2)8-12(13)17-4;/h7-8,10H,5-6,14H2,1-4H3;1H/t10-;/m1./s1
InChIKeyMRFVJKGODFVRFR-HNCPQSOCSA-N
MW275.78 g/mol
LogP2.93
Rot. Bonds6

About (1R)-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride

(1R)-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride (PubChem CID 171201035) has the molecular formula C13H22ClNO3 and a molecular weight of 275.78 g/mol. Its IUPAC name is (1R)-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride
PubChem CID171201035
Molecular FormulaC13H22ClNO3
Molecular Weight275.78 g/mol
Exact Mass275.13
IUPAC Name(1R)-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride
SMILESCCC[C@@H](N)c1c(OC)cc(OC)cc1OC.Cl
InChIInChI=1S/C13H21NO3.ClH/c1-5-6-10(14)13-11(16-3)7-9(15-2)8-12(13)17-4;/h7-8,10H,5-6,14H2,1-4H3;1H/t10-;/m1./s1
InChIKeyMRFVJKGODFVRFR-HNCPQSOCSA-N
XLogP2.93
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(2,4,6-trimethoxyphenyl)pentan-1-amine;hydrochloride
CID 171201038
(1R)-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171201026
(1S)-1-(2,6-dimethoxy-4-methylphenyl)butan-1-amine;hydrochloride
CID 171235550
(1S)-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201024
(4R)-4-amino-4-(2,4,6-trimethoxyphenyl)butan-1-ol
CID 171201068
(1S)-3,3-difluoro-1-(2,4,6-trimethoxyphenyl)propan-1-amine;hydrochloride
CID 171312905
5-amino-5-(2,4,6-trimethoxyphenyl)pentanamide
CID 60860649
(4S)-4-amino-4-(2,4,6-trimethoxyphenyl)butanoic acid
CID 28744319
(4R)-4-amino-4-(2,4,6-trimethoxyphenyl)butanoic acid
CID 28744321
2-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride
CID 171207100
(1R)-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride
CID 171201061
2-[(1R)-1-aminopropyl]-3,5-dimethoxyphenol;hydrochloride
CID 171207080

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride (CID 171201035) is (1R)-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride is CCC[C@@H](N)c1c(OC)cc(OC)cc1OC.Cl.
What is the InChIKey of (1R)-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride?
The InChIKey is MRFVJKGODFVRFR-HNCPQSOCSA-N. The full InChI is InChI=1S/C13H21NO3.ClH/c1-5-6-10(14)13-11(16-3)7-9(15-2)8-12(13)17-4;/h7-8,10H,5-6,14H2,1-4H3;1H/t10-;/m1./s1.
What are the key properties of (1R)-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride?
(1R)-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride has a molecular weight of 275.78 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 (1R)-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride is sourced from PubChem (CID 171201035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).