N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(2-methylphenyl)ethanamine

C16H21NS — CID 79763664

IUPACN-[(2,5-dimethylthiophen-3-yl)methyl]-2-(2-methylphenyl)ethanamine
SMILESCc1cc(CNCCc2ccccc2C)c(C)s1
InChIInChI=1S/C16H21NS/c1-12-6-4-5-7-15(12)8-9-17-11-16-10-13(2)18-14(16)3/h4-7,10,17H,8-9,11H2,1-3H3
InChIKeySJEDSDNBNNFIPV-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.01
Rot. Bonds5

About N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(2-methylphenyl)ethanamine

N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(2-methylphenyl)ethanamine (PubChem CID 79763664) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylthiophen-3-yl)methyl]-2-(2-methylphenyl)ethanamine
PubChem CID79763664
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC NameN-[(2,5-dimethylthiophen-3-yl)methyl]-2-(2-methylphenyl)ethanamine
SMILESCc1cc(CNCCc2ccccc2C)c(C)s1
InChIInChI=1S/C16H21NS/c1-12-6-4-5-7-15(12)8-9-17-11-16-10-13(2)18-14(16)3/h4-7,10,17H,8-9,11H2,1-3H3
InChIKeySJEDSDNBNNFIPV-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 63422918
N-[(2-bromophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910561
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-phenoxyethanamine
CID 55013040
3-[[2-(2-methylphenyl)ethylamino]methyl]benzene-1,2-diol
CID 79762957
N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 78911502
4-methyl-2-[[2-(2-methylphenyl)ethylamino]methyl]phenol
CID 78959999
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 78996318
N-[(4-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 78911495
N-[2-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
CID 64865985
N-[(3-chloro-4-methylphenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 106816930
N-[(4-bromo-2-fluorophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910576
3-methyl-4-[[2-(2-methylphenyl)ethylamino]methyl]benzonitrile
CID 114480531

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(2-methylphenyl)ethanamine?
The IUPAC name of N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(2-methylphenyl)ethanamine (CID 79763664) is N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(2-methylphenyl)ethanamine?
The canonical SMILES for N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(2-methylphenyl)ethanamine is Cc1cc(CNCCc2ccccc2C)c(C)s1.
What is the InChIKey of N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(2-methylphenyl)ethanamine?
The InChIKey is SJEDSDNBNNFIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-12-6-4-5-7-15(12)8-9-17-11-16-10-13(2)18-14(16)3/h4-7,10,17H,8-9,11H2,1-3H3.
What are the key properties of N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(2-methylphenyl)ethanamine?
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(2-methylphenyl)ethanamine has a molecular weight of 259.42 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 79763664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).