N-[(3,4-difluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine

C14H15F2NS — CID 54952885

IUPACN-[(3,4-difluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(C)NCc2ccc(F)c(F)c2)s1
InChIInChI=1S/C14H15F2NS/c1-9-3-6-14(18-9)10(2)17-8-11-4-5-12(15)13(16)7-11/h3-7,10,17H,8H2,1-2H3
InChIKeyGUNGQZJIJBECCX-UHFFFAOYSA-N
MW267.34 g/mol
LogP4.19
Rot. Bonds4

About N-[(3,4-difluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine

N-[(3,4-difluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine (PubChem CID 54952885) has the molecular formula C14H15F2NS and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
PubChem CID54952885
Molecular FormulaC14H15F2NS
Molecular Weight267.34 g/mol
Exact Mass267.09
IUPAC NameN-[(3,4-difluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(C)NCc2ccc(F)c(F)c2)s1
InChIInChI=1S/C14H15F2NS/c1-9-3-6-14(18-9)10(2)17-8-11-4-5-12(15)13(16)7-11/h3-7,10,17H,8H2,1-2H3
InChIKeyGUNGQZJIJBECCX-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 62539090
N-[(3-chloro-4-methylphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 106816707
1-(5-methylthiophen-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 61472993
N-[(2,6-difluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 54952884
2-methoxy-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]phenol
CID 61473264
1-(5-methylthiophen-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 61473381
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 61473085
N-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 65316176
1-(3,4-difluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 43223863
(1S)-N-[(3,4-difluorophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 28652647
1-(5-methylthiophen-2-yl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 60875775
N-[2-(3,5-difluorophenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 62604800

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine (CID 54952885) is N-[(3,4-difluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine is Cc1ccc(C(C)NCc2ccc(F)c(F)c2)s1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is GUNGQZJIJBECCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NS/c1-9-3-6-14(18-9)10(2)17-8-11-4-5-12(15)13(16)7-11/h3-7,10,17H,8H2,1-2H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine?
N-[(3,4-difluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 267.34 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 54952885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).