N-[(3-chloro-2-fluorophenyl)methyl]-4-methylthiophen-3-amine

C12H11ClFNS — CID 115751730

IUPACN-[(3-chloro-2-fluorophenyl)methyl]-4-methylthiophen-3-amine
SMILESCc1cscc1NCc1cccc(Cl)c1F
InChIInChI=1S/C12H11ClFNS/c1-8-6-16-7-11(8)15-5-9-3-2-4-10(13)12(9)14/h2-4,6-7,15H,5H2,1H3
InChIKeyOXCKYXWHOZISSE-UHFFFAOYSA-N
MW255.75 g/mol
LogP4.46
Rot. Bonds3

About N-[(3-chloro-2-fluorophenyl)methyl]-4-methylthiophen-3-amine

N-[(3-chloro-2-fluorophenyl)methyl]-4-methylthiophen-3-amine (PubChem CID 115751730) has the molecular formula C12H11ClFNS and a molecular weight of 255.75 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)methyl]-4-methylthiophen-3-amine.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)methyl]-4-methylthiophen-3-amine
PubChem CID115751730
Molecular FormulaC12H11ClFNS
Molecular Weight255.75 g/mol
Exact Mass255.03
IUPAC NameN-[(3-chloro-2-fluorophenyl)methyl]-4-methylthiophen-3-amine
SMILESCc1cscc1NCc1cccc(Cl)c1F
InChIInChI=1S/C12H11ClFNS/c1-8-6-16-7-11(8)15-5-9-3-2-4-10(13)12(9)14/h2-4,6-7,15H,5H2,1H3
InChIKeyOXCKYXWHOZISSE-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromophenyl)methyl]-4-methylthiophen-3-amine
CID 115751803
2-tert-butyl-N-[(3-chloro-2-fluorophenyl)methyl]aniline
CID 114487326
3-[(3-chloro-2-fluorophenyl)methylamino]-4-methylbenzoic acid
CID 114487403
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine
CID 102857811
N-[(3-chloro-2-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 91636185
4-chloro-N-[(3-chloro-2-fluorophenyl)methyl]-2,5-dimethoxyaniline
CID 114487194
N-[(3-chloro-2-fluorophenyl)methyl]-1H-indazol-7-amine
CID 114487412
2,4,6-trichloro-N-[(3-chloro-2-fluorophenyl)methyl]aniline
CID 114487265
3-[(3-chloro-2-fluorophenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 115744032
3-chloro-2-fluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62474567
N-[(3-chloro-2-fluorophenyl)methyl]prop-2-yn-1-amine
CID 115695732
N-[(2,3-dichlorophenyl)methyl]-4-methylpyridin-3-amine
CID 63329830

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-4-methylthiophen-3-amine?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-4-methylthiophen-3-amine (CID 115751730) is N-[(3-chloro-2-fluorophenyl)methyl]-4-methylthiophen-3-amine.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)methyl]-4-methylthiophen-3-amine?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)methyl]-4-methylthiophen-3-amine is Cc1cscc1NCc1cccc(Cl)c1F.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)methyl]-4-methylthiophen-3-amine?
The InChIKey is OXCKYXWHOZISSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNS/c1-8-6-16-7-11(8)15-5-9-3-2-4-10(13)12(9)14/h2-4,6-7,15H,5H2,1H3.
What are the key properties of N-[(3-chloro-2-fluorophenyl)methyl]-4-methylthiophen-3-amine?
N-[(3-chloro-2-fluorophenyl)methyl]-4-methylthiophen-3-amine has a molecular weight of 255.75 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-fluorophenyl)methyl]-4-methylthiophen-3-amine is sourced from PubChem (CID 115751730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).