4-chloro-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline

C17H13ClFNS — CID 63422472

IUPAC4-chloro-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline
SMILESFc1ccc(CNc2ccc(Cl)cc2)cc1-c1cccs1
InChIInChI=1S/C17H13ClFNS/c18-13-4-6-14(7-5-13)20-11-12-3-8-16(19)15(10-12)17-2-1-9-21-17/h1-10,20H,11H2
InChIKeyBLGOAPYLMMEEBD-UHFFFAOYSA-N
MW317.82 g/mol
LogP5.82
Rot. Bonds4

About 4-chloro-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline

4-chloro-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline (PubChem CID 63422472) has the molecular formula C17H13ClFNS and a molecular weight of 317.82 g/mol. Its IUPAC name is 4-chloro-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline
PubChem CID63422472
Molecular FormulaC17H13ClFNS
Molecular Weight317.82 g/mol
Exact Mass317.04
IUPAC Name4-chloro-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline
SMILESFc1ccc(CNc2ccc(Cl)cc2)cc1-c1cccs1
InChIInChI=1S/C17H13ClFNS/c18-13-4-6-14(7-5-13)20-11-12-3-8-16(19)15(10-12)17-2-1-9-21-17/h1-10,20H,11H2
InChIKeyBLGOAPYLMMEEBD-UHFFFAOYSA-N
XLogP5.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.82
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylaniline
CID 63420445
4-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]phenol
CID 61103429
3-fluoro-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline
CID 63422959
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 107648578
N-ethoxy-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine
CID 82709130
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656201
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-methylpyrazol-3-amine
CID 61103625
(1S)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81391284
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylpiperazin-1-amine
CID 83010258
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]cycloheptanamine
CID 63420419
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 61104385
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine
CID 71890514

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline?
The IUPAC name of 4-chloro-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline (CID 63422472) is 4-chloro-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline.
What is the SMILES notation for 4-chloro-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline?
The canonical SMILES for 4-chloro-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline is Fc1ccc(CNc2ccc(Cl)cc2)cc1-c1cccs1.
What is the InChIKey of 4-chloro-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline?
The InChIKey is BLGOAPYLMMEEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNS/c18-13-4-6-14(7-5-13)20-11-12-3-8-16(19)15(10-12)17-2-1-9-21-17/h1-10,20H,11H2.
What are the key properties of 4-chloro-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline?
4-chloro-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline has a molecular weight of 317.82 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline is sourced from PubChem (CID 63422472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).