2-chloro-6-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol

C15H18ClNOS — CID 112553966

IUPAC2-chloro-6-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol
SMILESCC(C)C(NCc1cccc(Cl)c1O)c1cccs1
InChIInChI=1S/C15H18ClNOS/c1-10(2)14(13-7-4-8-19-13)17-9-11-5-3-6-12(16)15(11)18/h3-8,10,14,17-18H,9H2,1-2H3
InChIKeyQHHDMIFCEQEZOS-UHFFFAOYSA-N
MW295.83 g/mol
LogP4.59
Rot. Bonds5

About 2-chloro-6-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol

2-chloro-6-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol (PubChem CID 112553966) has the molecular formula C15H18ClNOS and a molecular weight of 295.83 g/mol. Its IUPAC name is 2-chloro-6-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol
PubChem CID112553966
Molecular FormulaC15H18ClNOS
Molecular Weight295.83 g/mol
Exact Mass295.08
IUPAC Name2-chloro-6-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol
SMILESCC(C)C(NCc1cccc(Cl)c1O)c1cccs1
InChIInChI=1S/C15H18ClNOS/c1-10(2)14(13-7-4-8-19-13)17-9-11-5-3-6-12(16)15(11)18/h3-8,10,14,17-18H,9H2,1-2H3
InChIKeyQHHDMIFCEQEZOS-UHFFFAOYSA-N
XLogP4.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.83
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-3-fluorophenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 112550327
N-[(2-chloro-4-methylphenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 106862511
N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 60696935
N-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 115761561
N-[(2,3-dichlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43182757
2,6-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 65469347
2-chloro-6-methoxy-4-[[[(1S)-2-methyl-1-thiophen-2-ylpropyl]amino]methyl]phenol
CID 41099275
4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol
CID 43225843
2-methyl-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol
CID 103940711
2-chloro-6-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol
CID 103924012
N-(1H-indol-4-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 62999754
2-[(3-chloro-2-hydroxyphenyl)methylamino]propanamide
CID 112568714

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol?
The IUPAC name of 2-chloro-6-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol (CID 112553966) is 2-chloro-6-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol.
What is the SMILES notation for 2-chloro-6-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol?
The canonical SMILES for 2-chloro-6-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol is CC(C)C(NCc1cccc(Cl)c1O)c1cccs1.
What is the InChIKey of 2-chloro-6-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol?
The InChIKey is QHHDMIFCEQEZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS/c1-10(2)14(13-7-4-8-19-13)17-9-11-5-3-6-12(16)15(11)18/h3-8,10,14,17-18H,9H2,1-2H3.
What are the key properties of 2-chloro-6-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol?
2-chloro-6-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol has a molecular weight of 295.83 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol is sourced from PubChem (CID 112553966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).