N-[[5-chloro-2-(3-chlorothiophen-2-yl)phenyl]methyl]propan-1-amine

C14H15Cl2NS — CID 107360564

IUPACN-[[5-chloro-2-(3-chlorothiophen-2-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Cl)ccc1-c1sccc1Cl
InChIInChI=1S/C14H15Cl2NS/c1-2-6-17-9-10-8-11(15)3-4-12(10)14-13(16)5-7-18-14/h3-5,7-8,17H,2,6,9H2,1H3
InChIKeyMIHHCBNFMKTTQC-UHFFFAOYSA-N
MW300.25 g/mol
LogP5.22
Rot. Bonds5

About N-[[5-chloro-2-(3-chlorothiophen-2-yl)phenyl]methyl]propan-1-amine

N-[[5-chloro-2-(3-chlorothiophen-2-yl)phenyl]methyl]propan-1-amine (PubChem CID 107360564) has the molecular formula C14H15Cl2NS and a molecular weight of 300.25 g/mol. Its IUPAC name is N-[[5-chloro-2-(3-chlorothiophen-2-yl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(3-chlorothiophen-2-yl)phenyl]methyl]propan-1-amine
PubChem CID107360564
Molecular FormulaC14H15Cl2NS
Molecular Weight300.25 g/mol
Exact Mass299.03
IUPAC NameN-[[5-chloro-2-(3-chlorothiophen-2-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Cl)ccc1-c1sccc1Cl
InChIInChI=1S/C14H15Cl2NS/c1-2-6-17-9-10-8-11(15)3-4-12(10)14-13(16)5-7-18-14/h3-5,7-8,17H,2,6,9H2,1H3
InChIKeyMIHHCBNFMKTTQC-UHFFFAOYSA-N
XLogP5.22
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 ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-chloro-4-(3-chlorothiophen-2-yl)phenyl]methyl]propan-1-amine
CID 107360597
N-[[5-chloro-2-(2-chloro-5-fluorophenyl)phenyl]methyl]propan-1-amine
CID 105395708
N-[[5-chloro-2-(4-ethylphenyl)phenyl]methyl]propan-1-amine
CID 66159130
N-[[5-chloro-2-(2,6-difluoro-3-methylphenyl)phenyl]methyl]propan-1-amine
CID 82803406
N-[[3-(3-chlorothiophen-2-yl)phenyl]methyl]propan-1-amine
CID 107360611
N-[[5-chloro-2-(2-fluoro-5-methylphenyl)phenyl]methyl]propan-1-amine
CID 66159702
N-[[5-chloro-2-(3-methylphenyl)phenyl]methyl]propan-1-amine
CID 66161087
N-[(5-chloro-2-thiophen-2-ylsulfanylphenyl)methyl]propan-1-amine
CID 114863797
N-[[5-chloro-2-(1-methylpyrazol-3-yl)phenyl]methyl]propan-1-amine
CID 103131639
N-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-1-amine
CID 114847580
N-[(2-butyl-4-chlorophenyl)methyl]propan-1-amine
CID 106659194
N-[[2-(2,5-dichlorophenyl)phenyl]methyl]propan-1-amine
CID 63424612

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(3-chlorothiophen-2-yl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-chloro-2-(3-chlorothiophen-2-yl)phenyl]methyl]propan-1-amine (CID 107360564) is N-[[5-chloro-2-(3-chlorothiophen-2-yl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-chloro-2-(3-chlorothiophen-2-yl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-chloro-2-(3-chlorothiophen-2-yl)phenyl]methyl]propan-1-amine is CCCNCc1cc(Cl)ccc1-c1sccc1Cl.
What is the InChIKey of N-[[5-chloro-2-(3-chlorothiophen-2-yl)phenyl]methyl]propan-1-amine?
The InChIKey is MIHHCBNFMKTTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NS/c1-2-6-17-9-10-8-11(15)3-4-12(10)14-13(16)5-7-18-14/h3-5,7-8,17H,2,6,9H2,1H3.
What are the key properties of N-[[5-chloro-2-(3-chlorothiophen-2-yl)phenyl]methyl]propan-1-amine?
N-[[5-chloro-2-(3-chlorothiophen-2-yl)phenyl]methyl]propan-1-amine has a molecular weight of 300.25 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(3-chlorothiophen-2-yl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 107360564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).