2-[(3-chloro-4-methylthiophen-2-yl)methylamino]propan-1-ol

C9H14ClNOS — CID 103401538

IUPAC2-[(3-chloro-4-methylthiophen-2-yl)methylamino]propan-1-ol
SMILESCc1csc(CNC(C)CO)c1Cl
InChIInChI=1S/C9H14ClNOS/c1-6-5-13-8(9(6)10)3-11-7(2)4-12/h5,7,11-12H,3-4H2,1-2H3
InChIKeyQXKOWYNEBPLRQC-UHFFFAOYSA-N
MW219.74 g/mol
LogP2.18
Rot. Bonds4

About 2-[(3-chloro-4-methylthiophen-2-yl)methylamino]propan-1-ol

2-[(3-chloro-4-methylthiophen-2-yl)methylamino]propan-1-ol (PubChem CID 103401538) has the molecular formula C9H14ClNOS and a molecular weight of 219.74 g/mol. Its IUPAC name is 2-[(3-chloro-4-methylthiophen-2-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(3-chloro-4-methylthiophen-2-yl)methylamino]propan-1-ol
PubChem CID103401538
Molecular FormulaC9H14ClNOS
Molecular Weight219.74 g/mol
Exact Mass219.05
IUPAC Name2-[(3-chloro-4-methylthiophen-2-yl)methylamino]propan-1-ol
SMILESCc1csc(CNC(C)CO)c1Cl
InChIInChI=1S/C9H14ClNOS/c1-6-5-13-8(9(6)10)3-11-7(2)4-12/h5,7,11-12H,3-4H2,1-2H3
InChIKeyQXKOWYNEBPLRQC-UHFFFAOYSA-N
XLogP2.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.74
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4-methylthiophen-2-yl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 103401557
N-[(3-chloro-4-methylthiophen-2-yl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 103401528
N-[(3-chloro-4-methylthiophen-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 103401582
N-[(3-chloro-4-methylthiophen-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 103401508
N'-[(3-chloro-4-methylthiophen-2-yl)methyl]-N-propylethane-1,2-diamine
CID 103401521
2-[(2,5-dichlorothiophen-3-yl)methylamino]propan-1-ol
CID 107961535
N'-tert-butyl-N-[(3-chloro-4-methylthiophen-2-yl)methyl]propane-1,3-diamine
CID 103401587
2-[(4-bromo-5-methylthiophen-2-yl)methylamino]propan-1-ol
CID 102831611
(2S)-2-[(5-bromo-4-methylthiophen-2-yl)methylamino]propan-1-ol
CID 103778243
2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-4,5-dimethylphenol
CID 103698714
(2S)-2-(1,3-thiazol-5-ylmethylamino)propan-1-ol
CID 94578466
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]propan-1-ol
CID 62070996

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methylthiophen-2-yl)methylamino]propan-1-ol?
The IUPAC name of 2-[(3-chloro-4-methylthiophen-2-yl)methylamino]propan-1-ol (CID 103401538) is 2-[(3-chloro-4-methylthiophen-2-yl)methylamino]propan-1-ol.
What is the SMILES notation for 2-[(3-chloro-4-methylthiophen-2-yl)methylamino]propan-1-ol?
The canonical SMILES for 2-[(3-chloro-4-methylthiophen-2-yl)methylamino]propan-1-ol is Cc1csc(CNC(C)CO)c1Cl.
What is the InChIKey of 2-[(3-chloro-4-methylthiophen-2-yl)methylamino]propan-1-ol?
The InChIKey is QXKOWYNEBPLRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNOS/c1-6-5-13-8(9(6)10)3-11-7(2)4-12/h5,7,11-12H,3-4H2,1-2H3.
What are the key properties of 2-[(3-chloro-4-methylthiophen-2-yl)methylamino]propan-1-ol?
2-[(3-chloro-4-methylthiophen-2-yl)methylamino]propan-1-ol has a molecular weight of 219.74 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methylthiophen-2-yl)methylamino]propan-1-ol is sourced from PubChem (CID 103401538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).