2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol chloride

C9H15ClNOS- — CID 53347623

IUPAC2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol chloride
SMILESCC(C)(CO)NCc1cccs1.[Cl-]
InChIInChI=1S/C9H15NOS.ClH/c1-9(2,7-11)10-6-8-4-3-5-12-8;/h3-5,10-11H,6-7H2,1-2H3;1H/p-1
InChIKeyIAZGGXQNWAHWLN-UHFFFAOYSA-M
MW220.75 g/mol
LogP-1.39
Rot. Bonds4

About 2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol chloride

2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol chloride (PubChem CID 53347623) has the molecular formula C9H15ClNOS- and a molecular weight of 220.75 g/mol. Its IUPAC name is 2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol chloride.

Molecular Properties

Compound Name2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol chloride
PubChem CID53347623
Molecular FormulaC9H15ClNOS-
Molecular Weight220.75 g/mol
Exact Mass220.06
IUPAC Name2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol chloride
SMILESCC(C)(CO)NCc1cccs1.[Cl-]
InChIInChI=1S/C9H15NOS.ClH/c1-9(2,7-11)10-6-8-4-3-5-12-8;/h3-5,10-11H,6-7H2,1-2H3;1H/p-1
InChIKeyIAZGGXQNWAHWLN-UHFFFAOYSA-M
XLogP-1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.75
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol chloride 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

2,4,4-trimethyl-N-(thiophen-2-ylmethyl)pentan-2-amine
CID 4722843
2-methyl-3-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol
CID 55149935
4-methoxy-2,4-dimethyl-2-(thiophen-2-ylmethylamino)pentan-1-ol
CID 61054800
2-methyl-2-(thiophen-2-ylmethylamino)propanoic acid
CID 61001579
2-(4-fluorophenyl)-2-(thiophen-2-ylmethylamino)propan-1-ol
CID 61054387
2-naphthalen-2-yl-2-(thiophen-2-ylmethylamino)propan-1-ol
CID 61055796
N,N,2-trimethyl-2-(thiophen-2-ylmethylamino)propanamide
CID 115618443
2-methyl-2-(1-thiophen-2-ylbutan-2-ylamino)propan-1-ol
CID 115927429
2-(1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylamino)propanoic acid
CID 64991037
2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 21304833
methyl 2,3-dimethyl-2-(thiophen-2-ylmethylamino)butanoate
CID 62488456
2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 79359757

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol chloride?
The IUPAC name of 2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol chloride (CID 53347623) is 2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol chloride.
What is the SMILES notation for 2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol chloride?
The canonical SMILES for 2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol chloride is CC(C)(CO)NCc1cccs1.[Cl-].
What is the InChIKey of 2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol chloride?
The InChIKey is IAZGGXQNWAHWLN-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H15NOS.ClH/c1-9(2,7-11)10-6-8-4-3-5-12-8;/h3-5,10-11H,6-7H2,1-2H3;1H/p-1.
What are the key properties of 2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol chloride?
2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol chloride has a molecular weight of 220.75 g/mol, XLogP of -1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol chloride is sourced from PubChem (CID 53347623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).