(4R)-4-amino-4-(2,4,6-trimethoxyphenyl)butan-1-ol

C13H21NO4 — CID 171201068

IUPAC(4R)-4-amino-4-(2,4,6-trimethoxyphenyl)butan-1-ol
SMILESCOc1cc(OC)c([C@H](N)CCCO)c(OC)c1
InChIInChI=1S/C13H21NO4/c1-16-9-7-11(17-2)13(12(8-9)18-3)10(14)5-4-6-15/h7-8,10,15H,4-6,14H2,1-3H3/t10-/m1/s1
InChIKeyLVIWDDHXRHKEFK-SNVBAGLBSA-N
MW255.31 g/mol
LogP1.48
Rot. Bonds7

About (4R)-4-amino-4-(2,4,6-trimethoxyphenyl)butan-1-ol

(4R)-4-amino-4-(2,4,6-trimethoxyphenyl)butan-1-ol (PubChem CID 171201068) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is (4R)-4-amino-4-(2,4,6-trimethoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name(4R)-4-amino-4-(2,4,6-trimethoxyphenyl)butan-1-ol
PubChem CID171201068
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name(4R)-4-amino-4-(2,4,6-trimethoxyphenyl)butan-1-ol
SMILESCOc1cc(OC)c([C@H](N)CCCO)c(OC)c1
InChIInChI=1S/C13H21NO4/c1-16-9-7-11(17-2)13(12(8-9)18-3)10(14)5-4-6-15/h7-8,10,15H,4-6,14H2,1-3H3/t10-/m1/s1
InChIKeyLVIWDDHXRHKEFK-SNVBAGLBSA-N
XLogP1.48
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1S)-1-amino-4-hydroxybutyl]-3,5-dimethoxyphenol;hydrochloride
CID 171226703
(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
5-amino-5-(2,4,6-trimethoxyphenyl)pentanamide
CID 60860649
(1R)-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride
CID 171201035
4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol
CID 116861411
(4S)-4-amino-4-(2,4,6-trimethoxyphenyl)butanoic acid
CID 28744319
(4R)-4-amino-4-(2,4,6-trimethoxyphenyl)butanoic acid
CID 28744321
(1S)-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201024
2-[(1S)-1,5-diaminopentyl]-3,5-dimethoxyphenol;hydrochloride
CID 171226651
(4R)-4-amino-4-(2,5-dimethoxyphenyl)butan-1-ol;hydrochloride
CID 171200259
2-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride
CID 171207100

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-4-(2,4,6-trimethoxyphenyl)butan-1-ol?
The IUPAC name of (4R)-4-amino-4-(2,4,6-trimethoxyphenyl)butan-1-ol (CID 171201068) is (4R)-4-amino-4-(2,4,6-trimethoxyphenyl)butan-1-ol.
What is the SMILES notation for (4R)-4-amino-4-(2,4,6-trimethoxyphenyl)butan-1-ol?
The canonical SMILES for (4R)-4-amino-4-(2,4,6-trimethoxyphenyl)butan-1-ol is COc1cc(OC)c([C@H](N)CCCO)c(OC)c1.
What is the InChIKey of (4R)-4-amino-4-(2,4,6-trimethoxyphenyl)butan-1-ol?
The InChIKey is LVIWDDHXRHKEFK-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21NO4/c1-16-9-7-11(17-2)13(12(8-9)18-3)10(14)5-4-6-15/h7-8,10,15H,4-6,14H2,1-3H3/t10-/m1/s1.
What are the key properties of (4R)-4-amino-4-(2,4,6-trimethoxyphenyl)butan-1-ol?
(4R)-4-amino-4-(2,4,6-trimethoxyphenyl)butan-1-ol has a molecular weight of 255.31 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-4-(2,4,6-trimethoxyphenyl)butan-1-ol is sourced from PubChem (CID 171201068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).