1-(2,3,5-trimethyl-4-propoxyphenyl)propan-2-amine;hydrochloride

C15H26ClNO — CID 170894273

IUPAC1-(2,3,5-trimethyl-4-propoxyphenyl)propan-2-amine;hydrochloride
SMILESCCCOc1c(C)cc(CC(C)N)c(C)c1C.Cl
InChIInChI=1S/C15H25NO.ClH/c1-6-7-17-15-10(2)8-14(9-11(3)16)12(4)13(15)5;/h8,11H,6-7,9,16H2,1-5H3;1H
InChIKeyQGCIMDZKVPVEIQ-UHFFFAOYSA-N
MW271.83 g/mol
LogP3.71
Rot. Bonds5

About 1-(2,3,5-trimethyl-4-propoxyphenyl)propan-2-amine;hydrochloride

1-(2,3,5-trimethyl-4-propoxyphenyl)propan-2-amine;hydrochloride (PubChem CID 170894273) has the molecular formula C15H26ClNO and a molecular weight of 271.83 g/mol. Its IUPAC name is 1-(2,3,5-trimethyl-4-propoxyphenyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(2,3,5-trimethyl-4-propoxyphenyl)propan-2-amine;hydrochloride
PubChem CID170894273
Molecular FormulaC15H26ClNO
Molecular Weight271.83 g/mol
Exact Mass271.17
IUPAC Name1-(2,3,5-trimethyl-4-propoxyphenyl)propan-2-amine;hydrochloride
SMILESCCCOc1c(C)cc(CC(C)N)c(C)c1C.Cl
InChIInChI=1S/C15H25NO.ClH/c1-6-7-17-15-10(2)8-14(9-11(3)16)12(4)13(15)5;/h8,11H,6-7,9,16H2,1-5H3;1H
InChIKeyQGCIMDZKVPVEIQ-UHFFFAOYSA-N
XLogP3.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.83
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3,5-trimethyl-4-propoxyphenyl)propan-2-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

1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-amine
CID 13209710
1-(5-chloro-2,3-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890039
1-[5-bromo-3-methyl-2-(2-propoxyethoxy)phenyl]propan-2-amine
CID 106455680
1-(4-butoxy-3,5-dimethylphenyl)propan-2-amine
CID 54930520
1-(3,5-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890397
1-(5-bromo-2-heptoxy-3-methylphenyl)propan-2-amine
CID 115962769
1-(4,5-dimethoxy-2,3-dimethylphenyl)propan-2-amine
CID 117320597
1-(4-hexoxy-3,5-dimethylphenyl)propan-2-amine
CID 63420985
1-(5-chloro-3-methoxy-2-propoxyphenyl)propan-2-amine
CID 104666968
1-[5-bromo-2-(2-butoxyethoxy)-3-methylphenyl]propan-2-amine
CID 115962897
1-(5-butan-2-yl-3-chloro-2-propoxyphenyl)propan-2-amine
CID 170891416
1-[5-bromo-2-(2-ethoxyethoxy)-3-methylphenyl]propan-2-amine
CID 112621689

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5-trimethyl-4-propoxyphenyl)propan-2-amine;hydrochloride?
The IUPAC name of 1-(2,3,5-trimethyl-4-propoxyphenyl)propan-2-amine;hydrochloride (CID 170894273) is 1-(2,3,5-trimethyl-4-propoxyphenyl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(2,3,5-trimethyl-4-propoxyphenyl)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(2,3,5-trimethyl-4-propoxyphenyl)propan-2-amine;hydrochloride is CCCOc1c(C)cc(CC(C)N)c(C)c1C.Cl.
What is the InChIKey of 1-(2,3,5-trimethyl-4-propoxyphenyl)propan-2-amine;hydrochloride?
The InChIKey is QGCIMDZKVPVEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO.ClH/c1-6-7-17-15-10(2)8-14(9-11(3)16)12(4)13(15)5;/h8,11H,6-7,9,16H2,1-5H3;1H.
What are the key properties of 1-(2,3,5-trimethyl-4-propoxyphenyl)propan-2-amine;hydrochloride?
1-(2,3,5-trimethyl-4-propoxyphenyl)propan-2-amine;hydrochloride has a molecular weight of 271.83 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5-trimethyl-4-propoxyphenyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 170894273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).