N-[(3,5-dimethylphenyl)-thiophen-2-ylmethyl]propan-1-amine

C16H21NS — CID 43495957

IUPACN-[(3,5-dimethylphenyl)-thiophen-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(C)c1)c1cccs1
InChIInChI=1S/C16H21NS/c1-4-7-17-16(15-6-5-8-18-15)14-10-12(2)9-13(3)11-14/h5-6,8-11,16-17H,4,7H2,1-3H3
InChIKeyOCZRNXLNWBJAAB-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.45
Rot. Bonds5

About N-[(3,5-dimethylphenyl)-thiophen-2-ylmethyl]propan-1-amine

N-[(3,5-dimethylphenyl)-thiophen-2-ylmethyl]propan-1-amine (PubChem CID 43495957) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)-thiophen-2-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)-thiophen-2-ylmethyl]propan-1-amine
PubChem CID43495957
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC NameN-[(3,5-dimethylphenyl)-thiophen-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(C)c1)c1cccs1
InChIInChI=1S/C16H21NS/c1-4-7-17-16(15-6-5-8-18-15)14-10-12(2)9-13(3)11-14/h5-6,8-11,16-17H,4,7H2,1-3H3
InChIKeyOCZRNXLNWBJAAB-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromophenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 43494486
N-[thiophen-2-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64989890
N-[(3-methylthiophen-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495885
N-[1H-pyrazol-4-yl(thiophen-2-yl)methyl]propan-1-amine
CID 114988808
N-[1,3-dihydro-2-benzofuran-5-yl(thiophen-2-yl)methyl]propan-1-amine
CID 63020418
N-[(3,6-dimethylpyridazin-4-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 105100685
5-[propylamino(thiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43496016
N-[(2,5-dibromothiophen-3-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43497839
N-[(2-methylfuran-3-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495891
N-[1,3-thiazol-2-yl(thiophen-2-yl)methyl]propan-1-amine
CID 61347143
N-(dithiophen-2-ylmethyl)octan-1-amine
CID 115567135
N-[(4-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495934

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)-thiophen-2-ylmethyl]propan-1-amine?
The IUPAC name of N-[(3,5-dimethylphenyl)-thiophen-2-ylmethyl]propan-1-amine (CID 43495957) is N-[(3,5-dimethylphenyl)-thiophen-2-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3,5-dimethylphenyl)-thiophen-2-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(3,5-dimethylphenyl)-thiophen-2-ylmethyl]propan-1-amine is CCCNC(c1cc(C)cc(C)c1)c1cccs1.
What is the InChIKey of N-[(3,5-dimethylphenyl)-thiophen-2-ylmethyl]propan-1-amine?
The InChIKey is OCZRNXLNWBJAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-4-7-17-16(15-6-5-8-18-15)14-10-12(2)9-13(3)11-14/h5-6,8-11,16-17H,4,7H2,1-3H3.
What are the key properties of N-[(3,5-dimethylphenyl)-thiophen-2-ylmethyl]propan-1-amine?
N-[(3,5-dimethylphenyl)-thiophen-2-ylmethyl]propan-1-amine has a molecular weight of 259.42 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)-thiophen-2-ylmethyl]propan-1-amine is sourced from PubChem (CID 43495957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).