N-[(3-chloro-4-methoxyphenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine

C15H19ClN2OS — CID 115679734

IUPACN-[(3-chloro-4-methoxyphenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine
SMILESCCc1cnc(C(C)NCc2ccc(OC)c(Cl)c2)s1
InChIInChI=1S/C15H19ClN2OS/c1-4-12-9-18-15(20-12)10(2)17-8-11-5-6-14(19-3)13(16)7-11/h5-7,9-10,17H,4,8H2,1-3H3
InChIKeyHHKDRFDWWSGXMP-UHFFFAOYSA-N
MW310.85 g/mol
LogP4.22
Rot. Bonds6

About N-[(3-chloro-4-methoxyphenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine

N-[(3-chloro-4-methoxyphenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 115679734) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine
PubChem CID115679734
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC NameN-[(3-chloro-4-methoxyphenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine
SMILESCCc1cnc(C(C)NCc2ccc(OC)c(Cl)c2)s1
InChIInChI=1S/C15H19ClN2OS/c1-4-12-9-18-15(20-12)10(2)17-8-11-5-6-14(19-3)13(16)7-11/h5-7,9-10,17H,4,8H2,1-3H3
InChIKeyHHKDRFDWWSGXMP-UHFFFAOYSA-N
XLogP4.22
TPSA34.15 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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethyl-1,3-thiazol-2-yl)-N-(naphthalen-2-ylmethyl)ethanamine
CID 115679712
N-[(3,5-dimethylphenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine
CID 112696879
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 115680224
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 115679748
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine
CID 65022720
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104792050
(1S)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-pyridin-4-ylethanamine
CID 81405869
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 65022718
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-fluoro-3-pyridinyl)methyl]ethanamine
CID 104953801
4-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-2,6-difluorophenol
CID 115680101
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylpentan-2-amine
CID 65022730
N-[(4-methoxy-3-nitrophenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 115680188

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine (CID 115679734) is N-[(3-chloro-4-methoxyphenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine is CCc1cnc(C(C)NCc2ccc(OC)c(Cl)c2)s1.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is HHKDRFDWWSGXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c1-4-12-9-18-15(20-12)10(2)17-8-11-5-6-14(19-3)13(16)7-11/h5-7,9-10,17H,4,8H2,1-3H3.
What are the key properties of N-[(3-chloro-4-methoxyphenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine?
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 310.85 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methoxyphenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 115679734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).