3-[(5-chlorothiophen-2-yl)methylamino]-2,6-dimethylphenol

C13H14ClNOS — CID 43741643

IUPAC3-[(5-chlorothiophen-2-yl)methylamino]-2,6-dimethylphenol
SMILESCc1ccc(NCc2ccc(Cl)s2)c(C)c1O
InChIInChI=1S/C13H14ClNOS/c1-8-3-5-11(9(2)13(8)16)15-7-10-4-6-12(14)17-10/h3-6,15-16H,7H2,1-2H3
InChIKeyZKSJVPNWOBPFAR-UHFFFAOYSA-N
MW267.78 g/mol
LogP4.34
Rot. Bonds3

About 3-[(5-chlorothiophen-2-yl)methylamino]-2,6-dimethylphenol

3-[(5-chlorothiophen-2-yl)methylamino]-2,6-dimethylphenol (PubChem CID 43741643) has the molecular formula C13H14ClNOS and a molecular weight of 267.78 g/mol. Its IUPAC name is 3-[(5-chlorothiophen-2-yl)methylamino]-2,6-dimethylphenol.

Molecular Properties

Compound Name3-[(5-chlorothiophen-2-yl)methylamino]-2,6-dimethylphenol
PubChem CID43741643
Molecular FormulaC13H14ClNOS
Molecular Weight267.78 g/mol
Exact Mass267.05
IUPAC Name3-[(5-chlorothiophen-2-yl)methylamino]-2,6-dimethylphenol
SMILESCc1ccc(NCc2ccc(Cl)s2)c(C)c1O
InChIInChI=1S/C13H14ClNOS/c1-8-3-5-11(9(2)13(8)16)15-7-10-4-6-12(14)17-10/h3-6,15-16H,7H2,1-2H3
InChIKeyZKSJVPNWOBPFAR-UHFFFAOYSA-N
XLogP4.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-bromo-5-methylthiophen-2-yl)methylamino]-2,6-dimethylphenol
CID 102833788
3-[(3,5-dichlorophenyl)methylamino]-2,6-dimethylphenol
CID 60790057
1-N-[(5-chlorothiophen-2-yl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 43676884
methyl 4-[(5-chlorothiophen-2-yl)methylamino]-3-methylbenzoate
CID 43730493
3-[(2-hydroxyphenyl)methylamino]-2,6-dimethylphenol
CID 43741748
3-(ethylamino)-2,6-dimethylphenol
CID 43741904
3-(furan-3-ylmethylamino)-2,6-dimethylphenol
CID 63204508
N-[(5-chlorothiophen-2-yl)methyl]-2,4-dimethyl-5-nitroaniline
CID 104757620
methyl 2-[(5-chlorothiophen-2-yl)methylamino]-5-methylbenzoate
CID 43679139
3-[(3-bromo-4-chlorophenyl)methylamino]-2,6-dimethylphenol
CID 83229907
4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-iodoaniline
CID 107632198
3-[(2-ethylphenyl)methylamino]-2,6-dimethylphenol
CID 62392114

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothiophen-2-yl)methylamino]-2,6-dimethylphenol?
The IUPAC name of 3-[(5-chlorothiophen-2-yl)methylamino]-2,6-dimethylphenol (CID 43741643) is 3-[(5-chlorothiophen-2-yl)methylamino]-2,6-dimethylphenol.
What is the SMILES notation for 3-[(5-chlorothiophen-2-yl)methylamino]-2,6-dimethylphenol?
The canonical SMILES for 3-[(5-chlorothiophen-2-yl)methylamino]-2,6-dimethylphenol is Cc1ccc(NCc2ccc(Cl)s2)c(C)c1O.
What is the InChIKey of 3-[(5-chlorothiophen-2-yl)methylamino]-2,6-dimethylphenol?
The InChIKey is ZKSJVPNWOBPFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNOS/c1-8-3-5-11(9(2)13(8)16)15-7-10-4-6-12(14)17-10/h3-6,15-16H,7H2,1-2H3.
What are the key properties of 3-[(5-chlorothiophen-2-yl)methylamino]-2,6-dimethylphenol?
3-[(5-chlorothiophen-2-yl)methylamino]-2,6-dimethylphenol has a molecular weight of 267.78 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorothiophen-2-yl)methylamino]-2,6-dimethylphenol is sourced from PubChem (CID 43741643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).