N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine

C14H15Cl2NS — CID 61057881

IUPACN-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NCc1cc(Cl)cc(Cl)c1)c1cccs1
InChIInChI=1S/C14H15Cl2NS/c1-2-13(14-4-3-5-18-14)17-9-10-6-11(15)8-12(16)7-10/h3-8,13,17H,2,9H2,1H3
InChIKeyLWXTUJYPIJXBDJ-UHFFFAOYSA-N
MW300.25 g/mol
LogP5.30
Rot. Bonds5

About N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine

N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine (PubChem CID 61057881) has the molecular formula C14H15Cl2NS and a molecular weight of 300.25 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
PubChem CID61057881
Molecular FormulaC14H15Cl2NS
Molecular Weight300.25 g/mol
Exact Mass299.03
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NCc1cc(Cl)cc(Cl)c1)c1cccs1
InChIInChI=1S/C14H15Cl2NS/c1-2-13(14-4-3-5-18-14)17-9-10-6-11(15)8-12(16)7-10/h3-8,13,17H,2,9H2,1H3
InChIKeyLWXTUJYPIJXBDJ-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.25
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 79710933
2,6-difluoro-4-[(1-thiophen-2-ylpropylamino)methyl]phenol
CID 79831318
N-[(4-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43201345
2,6-dimethoxy-4-[(1-thiophen-2-ylpropylamino)methyl]phenol
CID 61057517
N-[(3-bromo-5-nitrophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 103350686
N-[(2-chloro-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 102609818
N-[(4-methoxy-3-methylphenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61058748
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61058131
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057204
N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057752
N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43206362
N-[(2,4-difluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057095

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine (CID 61057881) is N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine is CCC(NCc1cc(Cl)cc(Cl)c1)c1cccs1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine?
The InChIKey is LWXTUJYPIJXBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NS/c1-2-13(14-4-3-5-18-14)17-9-10-6-11(15)8-12(16)7-10/h3-8,13,17H,2,9H2,1H3.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine?
N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine has a molecular weight of 300.25 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 61057881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).