1-(5-chlorothiophen-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine

C15H18ClNS — CID 55598709

IUPAC1-(5-chlorothiophen-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine
SMILESCc1cc(C)c(CNCc2ccc(Cl)s2)cc1C
InChIInChI=1S/C15H18ClNS/c1-10-6-12(3)13(7-11(10)2)8-17-9-14-4-5-15(16)18-14/h4-7,17H,8-9H2,1-3H3
InChIKeyAMEQHJQVCVJXFC-UHFFFAOYSA-N
MW279.84 g/mol
LogP4.62
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine

1-(5-chlorothiophen-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine (PubChem CID 55598709) has the molecular formula C15H18ClNS and a molecular weight of 279.84 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine
PubChem CID55598709
Molecular FormulaC15H18ClNS
Molecular Weight279.84 g/mol
Exact Mass279.08
IUPAC Name1-(5-chlorothiophen-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine
SMILESCc1cc(C)c(CNCc2ccc(Cl)s2)cc1C
InChIInChI=1S/C15H18ClNS/c1-10-6-12(3)13(7-11(10)2)8-17-9-14-4-5-15(16)18-14/h4-7,17H,8-9H2,1-3H3
InChIKeyAMEQHJQVCVJXFC-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.84
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482916
N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 60711247
N-[(5-chlorothiophen-2-yl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine
CID 60743977
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(5-chlorothiophen-2-yl)methanamine
CID 102835909
1-(5-chlorothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305597
1-(5-chlorothiophen-2-yl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
CID 102835913
2-[5-[[(5-chlorothiophen-2-yl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 82894964
N-[(5-chlorothiophen-2-yl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine
CID 60752480
1-(5-chlorothiophen-2-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 115655848
N-[(5-chlorothiophen-2-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
CID 80708538
1-(5-chlorothiophen-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 61014211
4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-methylaniline
CID 115212752

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine (CID 55598709) is 1-(5-chlorothiophen-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine is Cc1cc(C)c(CNCc2ccc(Cl)s2)cc1C.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine?
The InChIKey is AMEQHJQVCVJXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNS/c1-10-6-12(3)13(7-11(10)2)8-17-9-14-4-5-15(16)18-14/h4-7,17H,8-9H2,1-3H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine?
1-(5-chlorothiophen-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine has a molecular weight of 279.84 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine is sourced from PubChem (CID 55598709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).