1-[3,5-dichloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine

C14H16Cl2N2OS — CID 60907800

IUPAC1-[3,5-dichloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(Cl)cc(Cl)c1OCc1cscn1
InChIInChI=1S/C14H16Cl2N2OS/c1-2-11(17)4-9-3-10(15)5-13(16)14(9)19-6-12-7-20-8-18-12/h3,5,7-8,11H,2,4,6,17H2,1H3
InChIKeyDWNDTDPCFAVLOA-UHFFFAOYSA-N
MW331.27 g/mol
LogP4.31
Rot. Bonds6

About 1-[3,5-dichloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine

1-[3,5-dichloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine (PubChem CID 60907800) has the molecular formula C14H16Cl2N2OS and a molecular weight of 331.27 g/mol. Its IUPAC name is 1-[3,5-dichloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3,5-dichloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine
PubChem CID60907800
Molecular FormulaC14H16Cl2N2OS
Molecular Weight331.27 g/mol
Exact Mass330.04
IUPAC Name1-[3,5-dichloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(Cl)cc(Cl)c1OCc1cscn1
InChIInChI=1S/C14H16Cl2N2OS/c1-2-11(17)4-9-3-10(15)5-13(16)14(9)19-6-12-7-20-8-18-12/h3,5,7-8,11H,2,4,6,17H2,1H3
InChIKeyDWNDTDPCFAVLOA-UHFFFAOYSA-N
XLogP4.31
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.27
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-chloro-3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine
CID 104667097
1-[3,5-dichloro-2-(methoxymethoxy)phenyl]butan-2-amine
CID 65364695
4-[2-(2-aminobutyl)-4,6-dichlorophenoxy]butanenitrile
CID 54929145
1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine
CID 54930620
1-[3-bromo-4-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine
CID 55146768
[3,5-dichloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 61484577
2-[2-(2-aminobutyl)-4,6-dichlorophenoxy]-N-propan-2-ylacetamide
CID 60907916
1-[5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)phenyl]butan-2-amine
CID 104667100
6-(3,5-dichloro-2-propoxyphenyl)hexan-3-amine
CID 83941333
1-[3-chloro-2-ethoxy-5-(ethoxymethyl)phenyl]butan-2-amine;hydrochloride
CID 170890050
1-(3,5-dichloro-2-octoxyphenyl)propan-2-amine
CID 63421710
1-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
CID 63826093

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dichloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[3,5-dichloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine (CID 60907800) is 1-[3,5-dichloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[3,5-dichloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[3,5-dichloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine is CCC(N)Cc1cc(Cl)cc(Cl)c1OCc1cscn1.
What is the InChIKey of 1-[3,5-dichloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine?
The InChIKey is DWNDTDPCFAVLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2OS/c1-2-11(17)4-9-3-10(15)5-13(16)14(9)19-6-12-7-20-8-18-12/h3,5,7-8,11H,2,4,6,17H2,1H3.
What are the key properties of 1-[3,5-dichloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine?
1-[3,5-dichloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine has a molecular weight of 331.27 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dichloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine is sourced from PubChem (CID 60907800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).