N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine

C13H14ClNS — CID 43179335

IUPACN-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine
SMILESCC(NCc1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C13H14ClNS/c1-10(11-5-3-2-4-6-11)15-9-12-7-8-13(14)16-12/h2-8,10,15H,9H2,1H3
InChIKeyGOJSXQZYTSSYKH-UHFFFAOYSA-N
MW251.78 g/mol
LogP4.25
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine

N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine (PubChem CID 43179335) has the molecular formula C13H14ClNS and a molecular weight of 251.78 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine
PubChem CID43179335
Molecular FormulaC13H14ClNS
Molecular Weight251.78 g/mol
Exact Mass251.05
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine
SMILESCC(NCc1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C13H14ClNS/c1-10(11-5-3-2-4-6-11)15-9-12-7-8-13(14)16-12/h2-8,10,15H,9H2,1H3
InChIKeyGOJSXQZYTSSYKH-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.78
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine
CID 28564868
1-phenyl-N-[[5-[(1-phenylethylamino)methyl]thiophen-2-yl]methyl]ethanamine
CID 78022429
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 81356848
N-[(5-methylthiophen-2-yl)methyl]-1-phenylethanamine
CID 4715520
N-[(5-chlorothiophen-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 43181722
(1R)-1-(3-bromophenyl)-N-[(5-chlorothiophen-2-yl)methyl]ethanamine
CID 81382627
N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43182699
(1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28683186
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 28655921
N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-1-phenylbutan-1-amine
CID 43232185
(1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 28653095
N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 62841664

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine (CID 43179335) is N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine is CC(NCc1ccc(Cl)s1)c1ccccc1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine?
The InChIKey is GOJSXQZYTSSYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNS/c1-10(11-5-3-2-4-6-11)15-9-12-7-8-13(14)16-12/h2-8,10,15H,9H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine?
N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine has a molecular weight of 251.78 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine is sourced from PubChem (CID 43179335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).