2-[[1-(3,4-dichlorophenyl)ethylamino]methyl]thiophen-3-amine

C13H14Cl2N2S — CID 66386508

IUPAC2-[[1-(3,4-dichlorophenyl)ethylamino]methyl]thiophen-3-amine
SMILESCC(NCc1sccc1N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H14Cl2N2S/c1-8(9-2-3-10(14)11(15)6-9)17-7-13-12(16)4-5-18-13/h2-6,8,17H,7,16H2,1H3
InChIKeyFGNPCDDHFWIMEU-UHFFFAOYSA-N
MW301.24 g/mol
LogP4.49
Rot. Bonds4

About 2-[[1-(3,4-dichlorophenyl)ethylamino]methyl]thiophen-3-amine

2-[[1-(3,4-dichlorophenyl)ethylamino]methyl]thiophen-3-amine (PubChem CID 66386508) has the molecular formula C13H14Cl2N2S and a molecular weight of 301.24 g/mol. Its IUPAC name is 2-[[1-(3,4-dichlorophenyl)ethylamino]methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[[1-(3,4-dichlorophenyl)ethylamino]methyl]thiophen-3-amine
PubChem CID66386508
Molecular FormulaC13H14Cl2N2S
Molecular Weight301.24 g/mol
Exact Mass300.03
IUPAC Name2-[[1-(3,4-dichlorophenyl)ethylamino]methyl]thiophen-3-amine
SMILESCC(NCc1sccc1N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H14Cl2N2S/c1-8(9-2-3-10(14)11(15)6-9)17-7-13-12(16)4-5-18-13/h2-6,8,17H,7,16H2,1H3
InChIKeyFGNPCDDHFWIMEU-UHFFFAOYSA-N
XLogP4.49
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]thiophen-3-amine
CID 81351915
2-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]thiophen-3-amine
CID 81360179
4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]benzenesulfonamide
CID 66386535
[4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]phenyl]urea
CID 66386169
N-[(4-chlorothiophen-2-yl)methyl]-1-(3,4-dichlorophenyl)ethanamine
CID 79419866
1-(3,4-dichlorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 65246502
5-[[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]methyl]thiophene-3-carboxamide
CID 96526651
1-(3,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 43078567
2-[[1-(2,4-difluorophenyl)ethylamino]methyl]thiophen-3-amine
CID 66385737
N-[(4-chloro-3-fluorophenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine
CID 63420735
1-(3,4-dichlorophenyl)-N-[(5-nitrofuran-2-yl)methyl]ethanamine
CID 43767841
1-(3,4-dichlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
CID 43079068

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3,4-dichlorophenyl)ethylamino]methyl]thiophen-3-amine?
The IUPAC name of 2-[[1-(3,4-dichlorophenyl)ethylamino]methyl]thiophen-3-amine (CID 66386508) is 2-[[1-(3,4-dichlorophenyl)ethylamino]methyl]thiophen-3-amine.
What is the SMILES notation for 2-[[1-(3,4-dichlorophenyl)ethylamino]methyl]thiophen-3-amine?
The canonical SMILES for 2-[[1-(3,4-dichlorophenyl)ethylamino]methyl]thiophen-3-amine is CC(NCc1sccc1N)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[[1-(3,4-dichlorophenyl)ethylamino]methyl]thiophen-3-amine?
The InChIKey is FGNPCDDHFWIMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2S/c1-8(9-2-3-10(14)11(15)6-9)17-7-13-12(16)4-5-18-13/h2-6,8,17H,7,16H2,1H3.
What are the key properties of 2-[[1-(3,4-dichlorophenyl)ethylamino]methyl]thiophen-3-amine?
2-[[1-(3,4-dichlorophenyl)ethylamino]methyl]thiophen-3-amine has a molecular weight of 301.24 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3,4-dichlorophenyl)ethylamino]methyl]thiophen-3-amine is sourced from PubChem (CID 66386508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).