2-chloro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline

C14H17ClN2S — CID 79476185

IUPAC2-chloro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline
SMILESCN(CCc1cccs1)Cc1ccc(Cl)c(N)c1
InChIInChI=1S/C14H17ClN2S/c1-17(7-6-12-3-2-8-18-12)10-11-4-5-13(15)14(16)9-11/h2-5,8-9H,6-7,10,16H2,1H3
InChIKeyVJLXUBDGAKDSPB-UHFFFAOYSA-N
MW280.82 g/mol
LogP3.66
Rot. Bonds5

About 2-chloro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline

2-chloro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline (PubChem CID 79476185) has the molecular formula C14H17ClN2S and a molecular weight of 280.82 g/mol. Its IUPAC name is 2-chloro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-chloro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline
PubChem CID79476185
Molecular FormulaC14H17ClN2S
Molecular Weight280.82 g/mol
Exact Mass280.08
IUPAC Name2-chloro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline
SMILESCN(CCc1cccs1)Cc1ccc(Cl)c(N)c1
InChIInChI=1S/C14H17ClN2S/c1-17(7-6-12-3-2-8-18-12)10-11-4-5-13(15)14(16)9-11/h2-5,8-9H,6-7,10,16H2,1H3
InChIKeyVJLXUBDGAKDSPB-UHFFFAOYSA-N
XLogP3.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.82
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[[methyl(2-phenylethyl)amino]methyl]aniline
CID 65485068
2-chloro-5-[[methyl(3-phenylpropyl)amino]methyl]aniline
CID 43587699
2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline
CID 63774945
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-thiophen-2-ylethanamine
CID 79494864
N-[(2-chlorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine;hydrochloride
CID 71750260
2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]pyridin-3-amine
CID 113447468
2-chloro-5-[[furan-2-ylmethyl(methyl)amino]methyl]aniline
CID 43526580
2-chloro-4-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 113334196
1-(3-amino-4-chlorophenyl)-3-thiophen-2-ylpropan-1-one
CID 116552251
4-(2-aminoethyl)-2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 81166020
4-amino-3,5-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 82833096
2-fluoro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]benzonitrile
CID 103758567

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline?
The IUPAC name of 2-chloro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline (CID 79476185) is 2-chloro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline.
What is the SMILES notation for 2-chloro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline?
The canonical SMILES for 2-chloro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline is CN(CCc1cccs1)Cc1ccc(Cl)c(N)c1.
What is the InChIKey of 2-chloro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline?
The InChIKey is VJLXUBDGAKDSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2S/c1-17(7-6-12-3-2-8-18-12)10-11-4-5-13(15)14(16)9-11/h2-5,8-9H,6-7,10,16H2,1H3.
What are the key properties of 2-chloro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline?
2-chloro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline has a molecular weight of 280.82 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline is sourced from PubChem (CID 79476185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).