N,3-dimethyl-2-[[2-methyl-4-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)phenoxy]methyl]aniline

C20H24N2OS — CID 144799577

IUPACN,3-dimethyl-2-[[2-methyl-4-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)phenoxy]methyl]aniline
SMILESCNc1cccc(C)c1COc1ccc(C2=CSC(C)N2)cc1C
InChIInChI=1S/C20H24N2OS/c1-13-6-5-7-18(21-4)17(13)11-23-20-9-8-16(10-14(20)2)19-12-24-15(3)22-19/h5-10,12,15,21-22H,11H2,1-4H3
InChIKeyLKGPPLGSTRDKOM-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.90
Rot. Bonds5

About N,3-dimethyl-2-[[2-methyl-4-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)phenoxy]methyl]aniline

N,3-dimethyl-2-[[2-methyl-4-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)phenoxy]methyl]aniline (PubChem CID 144799577) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is N,3-dimethyl-2-[[2-methyl-4-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)phenoxy]methyl]aniline.

Molecular Properties

Compound NameN,3-dimethyl-2-[[2-methyl-4-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)phenoxy]methyl]aniline
PubChem CID144799577
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC NameN,3-dimethyl-2-[[2-methyl-4-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)phenoxy]methyl]aniline
SMILESCNc1cccc(C)c1COc1ccc(C2=CSC(C)N2)cc1C
InChIInChI=1S/C20H24N2OS/c1-13-6-5-7-18(21-4)17(13)11-23-20-9-8-16(10-14(20)2)19-12-24-15(3)22-19/h5-10,12,15,21-22H,11H2,1-4H3
InChIKeyLKGPPLGSTRDKOM-UHFFFAOYSA-N
XLogP4.90
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-[[2-methyl-6-(methylamino)phenyl]methoxy]phenol
CID 129110182
N,3-dimethyl-2-[(2-methyl-4-phenoxyphenoxy)methyl]aniline
CID 144784982
N,3-dimethyl-2-[(2-methyl-4-pentan-2-ylphenoxy)methyl]aniline
CID 144784724
[3-methyl-4-[[2-methyl-6-(methylamino)phenyl]methoxy]phenyl]-phenylmethanone
CID 144659514
formohydrazide;3-methyl-4-[[2-methyl-6-(methylamino)phenyl]methoxy]phenol
CID 144784892
2-[[4-(5-chloro-2-pyridinyl)-2-methylphenoxy]methyl]-N,3-dimethylaniline;formohydrazide
CID 144772924
3-[4-[[2-ethyl-6-(methylamino)phenyl]methoxy]-3-methylphenyl]benzonitrile
CID 144784809
3-methoxy-N-methyl-2-[(2-methyl-4-naphthalen-1-ylphenoxy)methyl]aniline
CID 144784956
3-cyclopropyl-2-[[4-(3-fluoro-2-pyridinyl)-2-methylphenoxy]methyl]-N-methylaniline
CID 144773248
3-methoxy-N-methyl-2-[(2-methylphenoxy)methyl]aniline
CID 144738896
3-chloro-2-[(4-fluoro-2-methylphenoxy)methyl]-N-methylaniline
CID 144932971
3-fluoro-N-methyl-2-[(2-methylphenoxy)methyl]aniline
CID 144784976

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-[[2-methyl-4-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)phenoxy]methyl]aniline?
The IUPAC name of N,3-dimethyl-2-[[2-methyl-4-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)phenoxy]methyl]aniline (CID 144799577) is N,3-dimethyl-2-[[2-methyl-4-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)phenoxy]methyl]aniline.
What is the SMILES notation for N,3-dimethyl-2-[[2-methyl-4-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)phenoxy]methyl]aniline?
The canonical SMILES for N,3-dimethyl-2-[[2-methyl-4-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)phenoxy]methyl]aniline is CNc1cccc(C)c1COc1ccc(C2=CSC(C)N2)cc1C.
What is the InChIKey of N,3-dimethyl-2-[[2-methyl-4-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)phenoxy]methyl]aniline?
The InChIKey is LKGPPLGSTRDKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-13-6-5-7-18(21-4)17(13)11-23-20-9-8-16(10-14(20)2)19-12-24-15(3)22-19/h5-10,12,15,21-22H,11H2,1-4H3.
What are the key properties of N,3-dimethyl-2-[[2-methyl-4-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)phenoxy]methyl]aniline?
N,3-dimethyl-2-[[2-methyl-4-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)phenoxy]methyl]aniline has a molecular weight of 340.49 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-[[2-methyl-4-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)phenoxy]methyl]aniline is sourced from PubChem (CID 144799577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).