N-[(2,6-dichlorophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine

C15H17Cl2NS — CID 63503475

IUPACN-[(2,6-dichlorophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1sccc1C)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H17Cl2NS/c1-3-8-18-14(15-10(2)7-9-19-15)13-11(16)5-4-6-12(13)17/h4-7,9,14,18H,3,8H2,1-2H3
InChIKeyVRDLOWJCJXVPDX-UHFFFAOYSA-N
MW314.28 g/mol
LogP5.45
Rot. Bonds5

About N-[(2,6-dichlorophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine

N-[(2,6-dichlorophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 63503475) has the molecular formula C15H17Cl2NS and a molecular weight of 314.28 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
PubChem CID63503475
Molecular FormulaC15H17Cl2NS
Molecular Weight314.28 g/mol
Exact Mass313.05
IUPAC NameN-[(2,6-dichlorophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1sccc1C)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H17Cl2NS/c1-3-8-18-14(15-10(2)7-9-19-15)13-11(16)5-4-6-12(13)17/h4-7,9,14,18H,3,8H2,1-2H3
InChIKeyVRDLOWJCJXVPDX-UHFFFAOYSA-N
XLogP5.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.28
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,6-difluorophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 55006823
N-[(3-methylthiophen-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495885
N-[(3-chlorothiophen-2-yl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 80529576
N-[(2-fluoro-4,6-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 106883539
N-[(3-iodophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 63503327
N,N-dimethyl-4-[(3-methylthiophen-2-yl)-(propylamino)methyl]aniline
CID 105166487
N-[(3-chlorothiophen-2-yl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 81477482
N-[(2,6-dichlorophenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 43494208
N-[(4-bromo-5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 102828798
N-[(7-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 105045492
N-[(3-chlorothiophen-2-yl)-phenylmethyl]propan-1-amine
CID 80529572
N-[(4-bromo-3,5-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 114330849

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,6-dichlorophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine (CID 63503475) is N-[(2,6-dichlorophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,6-dichlorophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine is CCCNC(c1sccc1C)c1c(Cl)cccc1Cl.
What is the InChIKey of N-[(2,6-dichlorophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is VRDLOWJCJXVPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NS/c1-3-8-18-14(15-10(2)7-9-19-15)13-11(16)5-4-6-12(13)17/h4-7,9,14,18H,3,8H2,1-2H3.
What are the key properties of N-[(2,6-dichlorophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine?
N-[(2,6-dichlorophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 314.28 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 63503475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).