1-[3-chloro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine

C15H19ClN2OS — CID 63020493

IUPAC1-[3-chloro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OCc2cnc(C)s2)c(Cl)c1
InChIInChI=1S/C15H19ClN2OS/c1-3-12(17)6-11-4-5-15(14(16)7-11)19-9-13-8-18-10(2)20-13/h4-5,7-8,12H,3,6,9,17H2,1-2H3
InChIKeyUDHUSCIPEKSCDA-UHFFFAOYSA-N
MW310.85 g/mol
LogP3.96
Rot. Bonds6

About 1-[3-chloro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine

1-[3-chloro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine (PubChem CID 63020493) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is 1-[3-chloro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-chloro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine
PubChem CID63020493
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC Name1-[3-chloro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OCc2cnc(C)s2)c(Cl)c1
InChIInChI=1S/C15H19ClN2OS/c1-3-12(17)6-11-4-5-15(14(16)7-11)19-9-13-8-18-10(2)20-13/h4-5,7-8,12H,3,6,9,17H2,1-2H3
InChIKeyUDHUSCIPEKSCDA-UHFFFAOYSA-N
XLogP3.96
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-chloro-4-(methoxymethoxy)phenyl]butan-2-amine
CID 65364855
1-(3-chloro-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890189
1-[3-bromo-4-[(5-chlorothiophen-2-yl)methoxy]phenyl]butan-2-amine
CID 63421902
1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]butan-2-amine
CID 81160757
(1S)-1-[5-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 78933150
1-[3-bromo-4-[(5-ethylthiophen-2-yl)methoxy]phenyl]butan-2-amine
CID 63422250
1-[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine
CID 115958215
1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride
CID 170888463
1-[3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 63021499
(1R)-1-[5-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 63367368
1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine
CID 81160055
1-[3-bromo-4-[(4-bromothiophen-2-yl)methoxy]phenyl]butan-2-amine
CID 63422163

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine?
The IUPAC name of 1-[3-chloro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine (CID 63020493) is 1-[3-chloro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-chloro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine?
The canonical SMILES for 1-[3-chloro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine is CCC(N)Cc1ccc(OCc2cnc(C)s2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine?
The InChIKey is UDHUSCIPEKSCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c1-3-12(17)6-11-4-5-15(14(16)7-11)19-9-13-8-18-10(2)20-13/h4-5,7-8,12H,3,6,9,17H2,1-2H3.
What are the key properties of 1-[3-chloro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine?
1-[3-chloro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine has a molecular weight of 310.85 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine is sourced from PubChem (CID 63020493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).