N-methyl-3-(4-methylphenyl)-1-(5-methylthiophen-2-yl)propan-1-amine

C16H21NS — CID 105161960

IUPACN-methyl-3-(4-methylphenyl)-1-(5-methylthiophen-2-yl)propan-1-amine
SMILESCNC(CCc1ccc(C)cc1)c1ccc(C)s1
InChIInChI=1S/C16H21NS/c1-12-4-7-14(8-5-12)9-10-15(17-3)16-11-6-13(2)18-16/h4-8,11,15,17H,9-10H2,1-3H3
InChIKeyGTJWADKMSZHCKX-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.26
Rot. Bonds5

About N-methyl-3-(4-methylphenyl)-1-(5-methylthiophen-2-yl)propan-1-amine

N-methyl-3-(4-methylphenyl)-1-(5-methylthiophen-2-yl)propan-1-amine (PubChem CID 105161960) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is N-methyl-3-(4-methylphenyl)-1-(5-methylthiophen-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(4-methylphenyl)-1-(5-methylthiophen-2-yl)propan-1-amine
PubChem CID105161960
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC NameN-methyl-3-(4-methylphenyl)-1-(5-methylthiophen-2-yl)propan-1-amine
SMILESCNC(CCc1ccc(C)cc1)c1ccc(C)s1
InChIInChI=1S/C16H21NS/c1-12-4-7-14(8-5-12)9-10-15(17-3)16-11-6-13(2)18-16/h4-8,11,15,17H,9-10H2,1-3H3
InChIKeyGTJWADKMSZHCKX-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)propan-1-amine
CID 43480428
N-methyl-1-(5-methylthiophen-2-yl)-3-pyridin-3-ylpropan-1-amine
CID 105162051
N-methyl-3-(1-methylpyrazol-4-yl)-1-(5-methylthiophen-2-yl)propan-1-amine
CID 103030144
4-methyl-N-[1-(5-methylthiophen-2-yl)-3-phenylpropyl]benzenesulfonamide
CID 156775731
N-methyl-1-(5-methylthiophen-2-yl)pentan-1-amine
CID 43480384
1-(2,5-dimethylphenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105120019
N-methyl-1-(2-methylphenyl)-3-(4-methylphenyl)propan-1-amine
CID 105094431
4-ethoxy-N-methyl-1-(5-methylthiophen-2-yl)butan-1-amine
CID 105162024
1-(3,5-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105141947
1-(5-bromothiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61065076
N,3-dimethyl-1-(5-methylthiophen-2-yl)pentan-1-amine
CID 114874222
1-(5-ethylthiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43480719

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methylphenyl)-1-(5-methylthiophen-2-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(4-methylphenyl)-1-(5-methylthiophen-2-yl)propan-1-amine (CID 105161960) is N-methyl-3-(4-methylphenyl)-1-(5-methylthiophen-2-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(4-methylphenyl)-1-(5-methylthiophen-2-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(4-methylphenyl)-1-(5-methylthiophen-2-yl)propan-1-amine is CNC(CCc1ccc(C)cc1)c1ccc(C)s1.
What is the InChIKey of N-methyl-3-(4-methylphenyl)-1-(5-methylthiophen-2-yl)propan-1-amine?
The InChIKey is GTJWADKMSZHCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-12-4-7-14(8-5-12)9-10-15(17-3)16-11-6-13(2)18-16/h4-8,11,15,17H,9-10H2,1-3H3.
What are the key properties of N-methyl-3-(4-methylphenyl)-1-(5-methylthiophen-2-yl)propan-1-amine?
N-methyl-3-(4-methylphenyl)-1-(5-methylthiophen-2-yl)propan-1-amine has a molecular weight of 259.42 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methylphenyl)-1-(5-methylthiophen-2-yl)propan-1-amine is sourced from PubChem (CID 105161960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).