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

C14H18N2OS — CID 63096278

IUPACN-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCOc1cccc(CNC(C)c2nc(C)cs2)c1
InChIInChI=1S/C14H18N2OS/c1-10-9-18-14(16-10)11(2)15-8-12-5-4-6-13(7-12)17-3/h4-7,9,11,15H,8H2,1-3H3
InChIKeyAQRYFURAHMLDSE-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.31
Rot. Bonds5

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

N-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 63096278) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID63096278
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCOc1cccc(CNC(C)c2nc(C)cs2)c1
InChIInChI=1S/C14H18N2OS/c1-10-9-18-14(16-10)11(2)15-8-12-5-4-6-13(7-12)17-3/h4-7,9,11,15H,8H2,1-3H3
InChIKeyAQRYFURAHMLDSE-UHFFFAOYSA-N
XLogP3.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63096277
(1S)-N-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine
CID 92563841
5-methoxy-2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 63089655
2-methoxy-5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 63090176
N-[(3,4-dibromophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 115693156
1-(4-bromothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 107167168
N-[(3-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43221152
(1S)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649457
(1R)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649459
(1S)-1-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81402590
N-[(3-methoxyphenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 113346006
N-[(2,3-difluorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63719201

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 63096278) is N-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine is COc1cccc(CNC(C)c2nc(C)cs2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is AQRYFURAHMLDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10-9-18-14(16-10)11(2)15-8-12-5-4-6-13(7-12)17-3/h4-7,9,11,15H,8H2,1-3H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
N-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 262.38 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 63096278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).