N-[[3-chloro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]propan-2-amine

C14H17ClN2OS — CID 112610339

IUPACN-[[3-chloro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(Cl)c1OCc1nccs1
InChIInChI=1S/C14H17ClN2OS/c1-10(2)17-8-11-4-3-5-12(15)14(11)18-9-13-16-6-7-19-13/h3-7,10,17H,8-9H2,1-2H3
InChIKeyVFLFILCOIZSTCD-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.87
Rot. Bonds6

About N-[[3-chloro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]propan-2-amine

N-[[3-chloro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]propan-2-amine (PubChem CID 112610339) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is N-[[3-chloro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-chloro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]propan-2-amine
PubChem CID112610339
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC NameN-[[3-chloro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(Cl)c1OCc1nccs1
InChIInChI=1S/C14H17ClN2OS/c1-10(2)17-8-11-4-3-5-12(15)14(11)18-9-13-16-6-7-19-13/h3-7,10,17H,8-9H2,1-2H3
InChIKeyVFLFILCOIZSTCD-UHFFFAOYSA-N
XLogP3.87
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-fluoro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 112610621
N-[[3-chloro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]ethanamine
CID 112609256
N-[[3-chloro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 115954891
N-[[3-chloro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
CID 115954557
N-[[3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methyl]propan-2-amine
CID 115954535
N-[[3-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methyl]propan-2-amine
CID 112610346
N-[[2-[(2-chlorophenyl)methoxy]-3-methylphenyl]methyl]propan-2-amine
CID 115954081
6-[2-chloro-6-[(propan-2-ylamino)methyl]phenoxy]hexan-1-ol
CID 107702816
N-[[3-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 115955093
3-chloro-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde
CID 112611324
N-[[3-chloro-2-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 115954574
N-[[2-chloro-5-(1,3-thiazol-2-ylmethyl)phenyl]methyl]propan-2-amine
CID 114076795

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-chloro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]propan-2-amine (CID 112610339) is N-[[3-chloro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-chloro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-chloro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]propan-2-amine is CC(C)NCc1cccc(Cl)c1OCc1nccs1.
What is the InChIKey of N-[[3-chloro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]propan-2-amine?
The InChIKey is VFLFILCOIZSTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c1-10(2)17-8-11-4-3-5-12(15)14(11)18-9-13-16-6-7-19-13/h3-7,10,17H,8-9H2,1-2H3.
What are the key properties of N-[[3-chloro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]propan-2-amine?
N-[[3-chloro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]propan-2-amine has a molecular weight of 296.82 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 112610339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).