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

C14H24ClNO3 — CID 171201038

IUPAC(1R)-1-(2,4,6-trimethoxyphenyl)pentan-1-amine;hydrochloride
SMILESCCCC[C@@H](N)c1c(OC)cc(OC)cc1OC.Cl
InChIInChI=1S/C14H23NO3.ClH/c1-5-6-7-11(15)14-12(17-3)8-10(16-2)9-13(14)18-4;/h8-9,11H,5-7,15H2,1-4H3;1H/t11-;/m1./s1
InChIKeyQKPMIRSMSKWSGU-RFVHGSKJSA-N
MW289.80 g/mol
LogP3.32
Rot. Bonds7

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

(1R)-1-(2,4,6-trimethoxyphenyl)pentan-1-amine;hydrochloride (PubChem CID 171201038) has the molecular formula C14H24ClNO3 and a molecular weight of 289.80 g/mol. Its IUPAC name is (1R)-1-(2,4,6-trimethoxyphenyl)pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2,4,6-trimethoxyphenyl)pentan-1-amine;hydrochloride
PubChem CID171201038
Molecular FormulaC14H24ClNO3
Molecular Weight289.80 g/mol
Exact Mass289.14
IUPAC Name(1R)-1-(2,4,6-trimethoxyphenyl)pentan-1-amine;hydrochloride
SMILESCCCC[C@@H](N)c1c(OC)cc(OC)cc1OC.Cl
InChIInChI=1S/C14H23NO3.ClH/c1-5-6-7-11(15)14-12(17-3)8-10(16-2)9-13(14)18-4;/h8-9,11H,5-7,15H2,1-4H3;1H/t11-;/m1./s1
InChIKeyQKPMIRSMSKWSGU-RFVHGSKJSA-N
XLogP3.32
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.80
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-(2,4,6-trimethoxyphenyl)pentan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride
CID 171201035
(1R)-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171201026
(4R)-4-amino-4-(2,4,6-trimethoxyphenyl)butan-1-ol
CID 171201068
(1S)-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201024
(1R)-1-(2,6-dimethoxy-4-methylphenyl)hexan-1-amine
CID 171215923
5-amino-5-(2,4,6-trimethoxyphenyl)pentanamide
CID 60860649
(1R)-1-(2,6-difluoro-4-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171215785
(1S)-1-(2,6-dimethoxy-4-methylphenyl)butan-1-amine;hydrochloride
CID 171235550
2-[(1S)-1-amino-4-hydroxybutyl]-3,5-dimethoxyphenol;hydrochloride
CID 171226703
(1S)-3,3-difluoro-1-(2,4,6-trimethoxyphenyl)propan-1-amine;hydrochloride
CID 171312905
1-(2,6-difluoro-4-methoxyphenyl)hexan-1-amine
CID 54880583
(1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride
CID 171219764

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,4,6-trimethoxyphenyl)pentan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(2,4,6-trimethoxyphenyl)pentan-1-amine;hydrochloride (CID 171201038) is (1R)-1-(2,4,6-trimethoxyphenyl)pentan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(2,4,6-trimethoxyphenyl)pentan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(2,4,6-trimethoxyphenyl)pentan-1-amine;hydrochloride is CCCC[C@@H](N)c1c(OC)cc(OC)cc1OC.Cl.
What is the InChIKey of (1R)-1-(2,4,6-trimethoxyphenyl)pentan-1-amine;hydrochloride?
The InChIKey is QKPMIRSMSKWSGU-RFVHGSKJSA-N. The full InChI is InChI=1S/C14H23NO3.ClH/c1-5-6-7-11(15)14-12(17-3)8-10(16-2)9-13(14)18-4;/h8-9,11H,5-7,15H2,1-4H3;1H/t11-;/m1./s1.
What are the key properties of (1R)-1-(2,4,6-trimethoxyphenyl)pentan-1-amine;hydrochloride?
(1R)-1-(2,4,6-trimethoxyphenyl)pentan-1-amine;hydrochloride has a molecular weight of 289.80 g/mol, XLogP of 3.32, 7 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)pentan-1-amine;hydrochloride is sourced from PubChem (CID 171201038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).