[2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-fluorophenyl]methanamine

C14H16ClFN2S — CID 63289452

IUPAC[2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-fluorophenyl]methanamine
SMILESCN(Cc1ccc(Cl)s1)Cc1ccc(F)cc1CN
InChIInChI=1S/C14H16ClFN2S/c1-18(9-13-4-5-14(15)19-13)8-10-2-3-12(16)6-11(10)7-17/h2-6H,7-9,17H2,1H3
InChIKeyNVHQEFHIGQKKKE-UHFFFAOYSA-N
MW298.81 g/mol
LogP3.63
Rot. Bonds5

About [2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-fluorophenyl]methanamine

[2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-fluorophenyl]methanamine (PubChem CID 63289452) has the molecular formula C14H16ClFN2S and a molecular weight of 298.81 g/mol. Its IUPAC name is [2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-fluorophenyl]methanamine
PubChem CID63289452
Molecular FormulaC14H16ClFN2S
Molecular Weight298.81 g/mol
Exact Mass298.07
IUPAC Name[2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-fluorophenyl]methanamine
SMILESCN(Cc1ccc(Cl)s1)Cc1ccc(F)cc1CN
InChIInChI=1S/C14H16ClFN2S/c1-18(9-13-4-5-14(15)19-13)8-10-2-3-12(16)6-11(10)7-17/h2-6H,7-9,17H2,1H3
InChIKeyNVHQEFHIGQKKKE-UHFFFAOYSA-N
XLogP3.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-1-[4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-methylmethanamine
CID 113249451
[4-fluoro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64769510
4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-3-(trifluoromethyl)aniline
CID 81117412
2-[2-(aminomethyl)phenyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylethanamine
CID 81322722
[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methanamine
CID 55073926
3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]naphthalen-2-amine
CID 61439853
N-(2-amino-5-fluorophenyl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide
CID 61438327
1-(5-chlorothiophen-2-yl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 26509756
3-chloro-4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]benzoic acid
CID 102669868
1-(5-chlorothiophen-2-yl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260926
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
[4-fluoro-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64770076

Frequently Asked Questions

What is the IUPAC name of [2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-fluorophenyl]methanamine?
The IUPAC name of [2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-fluorophenyl]methanamine (CID 63289452) is [2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-fluorophenyl]methanamine.
What is the SMILES notation for [2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-fluorophenyl]methanamine?
The canonical SMILES for [2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-fluorophenyl]methanamine is CN(Cc1ccc(Cl)s1)Cc1ccc(F)cc1CN.
What is the InChIKey of [2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-fluorophenyl]methanamine?
The InChIKey is NVHQEFHIGQKKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2S/c1-18(9-13-4-5-14(15)19-13)8-10-2-3-12(16)6-11(10)7-17/h2-6H,7-9,17H2,1H3.
What are the key properties of [2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-fluorophenyl]methanamine?
[2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-fluorophenyl]methanamine has a molecular weight of 298.81 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-fluorophenyl]methanamine is sourced from PubChem (CID 63289452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).