N-[(2,4-dimethylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine

C17H23NS — CID 104991554

IUPACN-[(2,4-dimethylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1csc(C)c1)c1ccc(C)cc1C
InChIInChI=1S/C17H23NS/c1-5-8-18-17(15-10-14(4)19-11-15)16-7-6-12(2)9-13(16)3/h6-7,9-11,17-18H,5,8H2,1-4H3
InChIKeyWCHDWZHZCUUXHP-UHFFFAOYSA-N
MW273.44 g/mol
LogP4.76
Rot. Bonds5

About N-[(2,4-dimethylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine

N-[(2,4-dimethylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine (PubChem CID 104991554) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
PubChem CID104991554
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC NameN-[(2,4-dimethylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1csc(C)c1)c1ccc(C)cc1C
InChIInChI=1S/C17H23NS/c1-5-8-18-17(15-10-14(4)19-11-15)16-7-6-12(2)9-13(16)3/h6-7,9-11,17-18H,5,8H2,1-4H3
InChIKeyWCHDWZHZCUUXHP-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-methylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104991139
N-[(2-bromo-3-methylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 107985069
N-[(2,4-dimethylphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine
CID 79801999
N-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]propan-1-amine
CID 43495516
N-[(2-bromo-4-chlorophenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 107993607
N-[(2,4-dimethylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 43494187
N-[(2-methylsulfanylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104991415
N-[(5-methylthiophen-3-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 65104445
N-[(3,4-dichlorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 43495535
N-[(5-bromothiophen-3-yl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 105142862
N-[(2,4-dimethylphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105145275
N-[(3-methylfuran-2-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104805742

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,4-dimethylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine (CID 104991554) is N-[(2,4-dimethylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,4-dimethylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine is CCCNC(c1csc(C)c1)c1ccc(C)cc1C.
What is the InChIKey of N-[(2,4-dimethylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine?
The InChIKey is WCHDWZHZCUUXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-5-8-18-17(15-10-14(4)19-11-15)16-7-6-12(2)9-13(16)3/h6-7,9-11,17-18H,5,8H2,1-4H3.
What are the key properties of N-[(2,4-dimethylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine?
N-[(2,4-dimethylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine has a molecular weight of 273.44 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 104991554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).