1-(2-methoxy-5-methylphenyl)-N-(thiophen-2-ylmethyl)propan-2-amine;hydrochloride

C16H22ClNOS — CID 24846487

IUPAC1-(2-methoxy-5-methylphenyl)-N-(thiophen-2-ylmethyl)propan-2-amine;hydrochloride
SMILESCOc1ccc(C)cc1CC(C)NCc1cccs1.Cl
InChIInChI=1S/C16H21NOS.ClH/c1-12-6-7-16(18-3)14(9-12)10-13(2)17-11-15-5-4-8-19-15;/h4-9,13,17H,10-11H2,1-3H3;1H
InChIKeyOCAAHTLBTBMLIG-UHFFFAOYSA-N
MW311.88 g/mol
LogP4.21
Rot. Bonds6

About 1-(2-methoxy-5-methylphenyl)-N-(thiophen-2-ylmethyl)propan-2-amine;hydrochloride

1-(2-methoxy-5-methylphenyl)-N-(thiophen-2-ylmethyl)propan-2-amine;hydrochloride (PubChem CID 24846487) has the molecular formula C16H22ClNOS and a molecular weight of 311.88 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-N-(thiophen-2-ylmethyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-N-(thiophen-2-ylmethyl)propan-2-amine;hydrochloride
PubChem CID24846487
Molecular FormulaC16H22ClNOS
Molecular Weight311.88 g/mol
Exact Mass311.11
IUPAC Name1-(2-methoxy-5-methylphenyl)-N-(thiophen-2-ylmethyl)propan-2-amine;hydrochloride
SMILESCOc1ccc(C)cc1CC(C)NCc1cccs1.Cl
InChIInChI=1S/C16H21NOS.ClH/c1-12-6-7-16(18-3)14(9-12)10-13(2)17-11-15-5-4-8-19-15;/h4-9,13,17H,10-11H2,1-3H3;1H
InChIKeyOCAAHTLBTBMLIG-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.88
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-methoxy-5-methylphenyl)-N-(thiophen-2-ylmethyl)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

(2S,3S)-N-[(2-methoxy-5-thiophen-3-ylphenyl)methyl]-2-phenylpiperidin-3-amine
CID 10714695
2-(3,4-dimethoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine;hydrochloride
CID 2976026
[(4-Methoxyphenyl)methyl][1-(thiophen-2-yl)propan-2-yl]amine
CID 4868415
[2-(3,4-Dimethoxyphenyl)ethyl][(3-methylthiophen-2-yl)methyl]amine hydrochloride
CID 6458577
2-methyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine;hydrochloride
CID 6460614
N-[2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine
CID 3706223
((2-Methoxyphenyl)methyl)((thiophen-2-yl)methyl)amine
CID 2115238
N-[2-(2-thienylmethoxy)benzyl]cyclohexanamine hydrochloride
CID 2942144
[3-(Benzyloxy)benzyl](2-thienylmethyl)amine hydrochloride
CID 2959648
[4-(Benzyloxy)benzyl](2-thienylmethyl)amine hydrochloride
CID 2960752
1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 6461550
tert-Butyl-[2-(thiophen-2-ylmethoxy)-benzyl]-amine
CID 11957322

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-(thiophen-2-ylmethyl)propan-2-amine;hydrochloride?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-(thiophen-2-ylmethyl)propan-2-amine;hydrochloride (CID 24846487) is 1-(2-methoxy-5-methylphenyl)-N-(thiophen-2-ylmethyl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N-(thiophen-2-ylmethyl)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N-(thiophen-2-ylmethyl)propan-2-amine;hydrochloride is COc1ccc(C)cc1CC(C)NCc1cccs1.Cl.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N-(thiophen-2-ylmethyl)propan-2-amine;hydrochloride?
The InChIKey is OCAAHTLBTBMLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS.ClH/c1-12-6-7-16(18-3)14(9-12)10-13(2)17-11-15-5-4-8-19-15;/h4-9,13,17H,10-11H2,1-3H3;1H.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-N-(thiophen-2-ylmethyl)propan-2-amine;hydrochloride?
1-(2-methoxy-5-methylphenyl)-N-(thiophen-2-ylmethyl)propan-2-amine;hydrochloride has a molecular weight of 311.88 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-N-(thiophen-2-ylmethyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 24846487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).