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

C15H18ClNS — CID 79419624

IUPACN-[(4-chlorothiophen-2-yl)methyl]-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(C)NCc2cc(Cl)cs2)cc1
InChIInChI=1S/C15H18ClNS/c1-3-12-4-6-13(7-5-12)11(2)17-9-15-8-14(16)10-18-15/h4-8,10-11,17H,3,9H2,1-2H3
InChIKeySRBAZBXVGHMGJS-UHFFFAOYSA-N
MW279.84 g/mol
LogP4.81
Rot. Bonds5

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

N-[(4-chlorothiophen-2-yl)methyl]-1-(4-ethylphenyl)ethanamine (PubChem CID 79419624) has the molecular formula C15H18ClNS and a molecular weight of 279.84 g/mol. Its IUPAC name is N-[(4-chlorothiophen-2-yl)methyl]-1-(4-ethylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(4-chlorothiophen-2-yl)methyl]-1-(4-ethylphenyl)ethanamine
PubChem CID79419624
Molecular FormulaC15H18ClNS
Molecular Weight279.84 g/mol
Exact Mass279.08
IUPAC NameN-[(4-chlorothiophen-2-yl)methyl]-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(C)NCc2cc(Cl)cs2)cc1
InChIInChI=1S/C15H18ClNS/c1-3-12-4-6-13(7-5-12)11(2)17-9-15-8-14(16)10-18-15/h4-8,10-11,17H,3,9H2,1-2H3
InChIKeySRBAZBXVGHMGJS-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.84
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-chlorophenyl)-N-[(4-chlorothiophen-2-yl)methyl]ethanamine
CID 81352477
4-[1-[(4-chlorothiophen-2-yl)methylamino]ethyl]benzonitrile
CID 79420315
N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 79427378
N-[(4-chlorothiophen-2-yl)methyl]-1-(3,4-dichlorophenyl)ethanamine
CID 79419866
(1R)-1-(2-chlorophenyl)-N-[(4-chlorothiophen-2-yl)methyl]ethanamine
CID 81377663
N-[(4-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 79420654
N-[(4-bromothiophen-2-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43223373
N-[(3,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43221490
N-[(4-chlorothiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 79419831
1-(4-bromophenyl)-N-[(4-chlorothiophen-2-yl)methyl]propan-1-amine
CID 79420232
(1S)-1-(4-chlorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81355528
(1S)-N-[(4-chlorothiophen-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401866

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-1-(4-ethylphenyl)ethanamine?
The IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-1-(4-ethylphenyl)ethanamine (CID 79419624) is N-[(4-chlorothiophen-2-yl)methyl]-1-(4-ethylphenyl)ethanamine.
What is the SMILES notation for N-[(4-chlorothiophen-2-yl)methyl]-1-(4-ethylphenyl)ethanamine?
The canonical SMILES for N-[(4-chlorothiophen-2-yl)methyl]-1-(4-ethylphenyl)ethanamine is CCc1ccc(C(C)NCc2cc(Cl)cs2)cc1.
What is the InChIKey of N-[(4-chlorothiophen-2-yl)methyl]-1-(4-ethylphenyl)ethanamine?
The InChIKey is SRBAZBXVGHMGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNS/c1-3-12-4-6-13(7-5-12)11(2)17-9-15-8-14(16)10-18-15/h4-8,10-11,17H,3,9H2,1-2H3.
What are the key properties of N-[(4-chlorothiophen-2-yl)methyl]-1-(4-ethylphenyl)ethanamine?
N-[(4-chlorothiophen-2-yl)methyl]-1-(4-ethylphenyl)ethanamine has a molecular weight of 279.84 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorothiophen-2-yl)methyl]-1-(4-ethylphenyl)ethanamine is sourced from PubChem (CID 79419624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).