N-[(4-chlorothiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine

C12H14ClNS2 — CID 79419831

IUPACN-[(4-chlorothiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(C)NCc2cc(Cl)cs2)s1
InChIInChI=1S/C12H14ClNS2/c1-8-3-4-12(16-8)9(2)14-6-11-5-10(13)7-15-11/h3-5,7,9,14H,6H2,1-2H3
InChIKeyJJHWXZSHTZCCJA-UHFFFAOYSA-N
MW271.84 g/mol
LogP4.62
Rot. Bonds4

About N-[(4-chlorothiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine

N-[(4-chlorothiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine (PubChem CID 79419831) has the molecular formula C12H14ClNS2 and a molecular weight of 271.84 g/mol. Its IUPAC name is N-[(4-chlorothiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-chlorothiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
PubChem CID79419831
Molecular FormulaC12H14ClNS2
Molecular Weight271.84 g/mol
Exact Mass271.03
IUPAC NameN-[(4-chlorothiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(C)NCc2cc(Cl)cs2)s1
InChIInChI=1S/C12H14ClNS2/c1-8-3-4-12(16-8)9(2)14-6-11-5-10(13)7-15-11/h3-5,7,9,14H,6H2,1-2H3
InChIKeyJJHWXZSHTZCCJA-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.84
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 79420654
(1R)-1-(4-chlorophenyl)-N-[(4-chlorothiophen-2-yl)methyl]ethanamine
CID 81352477
N-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 65316176
1-(5-methylthiophen-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 61473381
(1R)-1-(2-chlorophenyl)-N-[(4-chlorothiophen-2-yl)methyl]ethanamine
CID 81377663
N-[(4-chlorothiophen-2-yl)methyl]-1-(3,4-dichlorophenyl)ethanamine
CID 79419866
N-[(3-chloro-4-fluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 62539090
N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 79427265
N-[(4-chlorothiophen-2-yl)methyl]-1-(4-ethylphenyl)ethanamine
CID 79419624
N-[(3-chloro-4-methylphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 106816707
1-(5-methylthiophen-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 61472993
N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 79427378

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine (CID 79419831) is N-[(4-chlorothiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for N-[(4-chlorothiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for N-[(4-chlorothiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine is Cc1ccc(C(C)NCc2cc(Cl)cs2)s1.
What is the InChIKey of N-[(4-chlorothiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is JJHWXZSHTZCCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNS2/c1-8-3-4-12(16-8)9(2)14-6-11-5-10(13)7-15-11/h3-5,7,9,14H,6H2,1-2H3.
What are the key properties of N-[(4-chlorothiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine?
N-[(4-chlorothiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 271.84 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorothiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 79419831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).