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

C15H16Cl3NOS — CID 63499013

IUPACN-[[3,5-dichloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Cl)cc(Cl)c1OCc1ccc(Cl)s1
InChIInChI=1S/C15H16Cl3NOS/c1-2-5-19-8-10-6-11(16)7-13(17)15(10)20-9-12-3-4-14(18)21-12/h3-4,6-7,19H,2,5,8-9H2,1H3
InChIKeySHRUZLRFMFTAHZ-UHFFFAOYSA-N
MW364.73 g/mol
LogP5.79
Rot. Bonds7

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

N-[[3,5-dichloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]methyl]propan-1-amine (PubChem CID 63499013) has the molecular formula C15H16Cl3NOS and a molecular weight of 364.73 g/mol. Its IUPAC name is N-[[3,5-dichloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3,5-dichloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]methyl]propan-1-amine
PubChem CID63499013
Molecular FormulaC15H16Cl3NOS
Molecular Weight364.73 g/mol
Exact Mass363.00
IUPAC NameN-[[3,5-dichloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Cl)cc(Cl)c1OCc1ccc(Cl)s1
InChIInChI=1S/C15H16Cl3NOS/c1-2-5-19-8-10-6-11(16)7-13(17)15(10)20-9-12-3-4-14(18)21-12/h3-4,6-7,19H,2,5,8-9H2,1H3
InChIKeySHRUZLRFMFTAHZ-UHFFFAOYSA-N
XLogP5.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.73
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 35697832
N-[(3,5-dichloro-2-pentoxyphenyl)methyl]propan-1-amine
CID 43515784
N-[[3,5-dichloro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 82865368
N-[[3,5-dichloro-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine
CID 106449939
N-[(2-but-2-enoxy-3,5-dichlorophenyl)methyl]propan-1-amine
CID 76997604
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]heptan-1-amine
CID 4717568
2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 43515791
N-[[4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methyl]ethanamine
CID 63500605
3-butoxy-N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 17207869
N-[[2-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 63497826
2-(4-chlorophenyl)-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17208622
N-[(3,5-dichloro-2-propoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 29241701

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dichloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3,5-dichloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]methyl]propan-1-amine (CID 63499013) is N-[[3,5-dichloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3,5-dichloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3,5-dichloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]methyl]propan-1-amine is CCCNCc1cc(Cl)cc(Cl)c1OCc1ccc(Cl)s1.
What is the InChIKey of N-[[3,5-dichloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]methyl]propan-1-amine?
The InChIKey is SHRUZLRFMFTAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl3NOS/c1-2-5-19-8-10-6-11(16)7-13(17)15(10)20-9-12-3-4-14(18)21-12/h3-4,6-7,19H,2,5,8-9H2,1H3.
What are the key properties of N-[[3,5-dichloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]methyl]propan-1-amine?
N-[[3,5-dichloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]methyl]propan-1-amine has a molecular weight of 364.73 g/mol, XLogP of 5.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dichloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 63499013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).