N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine

C15H19FN2S — CID 61104385

IUPACN-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCc1ccc(F)c(-c2cccs2)c1
InChIInChI=1S/C15H19FN2S/c1-18(2)8-7-17-11-12-5-6-14(16)13(10-12)15-4-3-9-19-15/h3-6,9-10,17H,7-8,11H2,1-2H3
InChIKeyWPIOKVQJDIEGMZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.21
Rot. Bonds6

About N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine

N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 61104385) has the molecular formula C15H19FN2S and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID61104385
Molecular FormulaC15H19FN2S
Molecular Weight278.40 g/mol
Exact Mass278.13
IUPAC NameN-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCc1ccc(F)c(-c2cccs2)c1
InChIInChI=1S/C15H19FN2S/c1-18(2)8-7-17-11-12-5-6-14(16)13(10-12)15-4-3-9-19-15/h3-6,9-10,17H,7-8,11H2,1-2H3
InChIKeyWPIOKVQJDIEGMZ-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]-N,N-dimethylpropanamide
CID 61104199
2-ethylsulfinyl-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]ethanamine
CID 115627155
3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]propanamide
CID 61103230
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 61058996
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine
CID 71890514
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656201
1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 61060963
2-(cyclopenten-1-yl)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]ethanamine
CID 106169126
N-ethoxy-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine
CID 82709130
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylaniline
CID 63420445
ethyl 2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]acetate
CID 61103810
4-chloro-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline
CID 63422472

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine (CID 61104385) is N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNCc1ccc(F)c(-c2cccs2)c1.
What is the InChIKey of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is WPIOKVQJDIEGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S/c1-18(2)8-7-17-11-12-5-6-14(16)13(10-12)15-4-3-9-19-15/h3-6,9-10,17H,7-8,11H2,1-2H3.
What are the key properties of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 278.40 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 61104385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).