N-[(4-chlorothiophen-2-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine

C14H14ClF2NS — CID 79420256

IUPACN-[(4-chlorothiophen-2-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine
SMILESCC(Cc1c(F)cccc1F)NCc1cc(Cl)cs1
InChIInChI=1S/C14H14ClF2NS/c1-9(18-7-11-6-10(15)8-19-11)5-12-13(16)3-2-4-14(12)17/h2-4,6,8-9,18H,5,7H2,1H3
InChIKeyGEUBKCFNKZILJE-UHFFFAOYSA-N
MW301.79 g/mol
LogP4.40
Rot. Bonds5

About N-[(4-chlorothiophen-2-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine

N-[(4-chlorothiophen-2-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine (PubChem CID 79420256) has the molecular formula C14H14ClF2NS and a molecular weight of 301.79 g/mol. Its IUPAC name is N-[(4-chlorothiophen-2-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-[(4-chlorothiophen-2-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine
PubChem CID79420256
Molecular FormulaC14H14ClF2NS
Molecular Weight301.79 g/mol
Exact Mass301.05
IUPAC NameN-[(4-chlorothiophen-2-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine
SMILESCC(Cc1c(F)cccc1F)NCc1cc(Cl)cs1
InChIInChI=1S/C14H14ClF2NS/c1-9(18-7-11-6-10(15)8-19-11)5-12-13(16)3-2-4-14(12)17/h2-4,6,8-9,18H,5,7H2,1H3
InChIKeyGEUBKCFNKZILJE-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.79
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine
CID 54864200
N-[(4-chlorothiophen-2-yl)methyl]-2,6-difluoroaniline
CID 79420302
(1R)-1-(4-chlorophenyl)-N-[(4-chlorothiophen-2-yl)methyl]ethanamine
CID 81352477
5-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]thiophene-2-carbonitrile
CID 115675608
N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432724
N-[(4-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 79420654
N-[(4-chlorothiophen-2-yl)methyl]-1-ethoxypropan-2-amine
CID 79420004
(1R)-1-(2-chlorophenyl)-N-[(4-chlorothiophen-2-yl)methyl]ethanamine
CID 81377663
N-[(4-chlorothiophen-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 79419287
3-[[[(2S)-1-(2,6-difluorophenyl)propan-2-yl]amino]methyl]phenol
CID 93362092
1-(2,6-difluorophenyl)-N-(furan-3-ylmethyl)propan-2-amine
CID 63000728
N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methylphenoxy)propan-2-amine
CID 79420610

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine?
The IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine (CID 79420256) is N-[(4-chlorothiophen-2-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine.
What is the SMILES notation for N-[(4-chlorothiophen-2-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine?
The canonical SMILES for N-[(4-chlorothiophen-2-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine is CC(Cc1c(F)cccc1F)NCc1cc(Cl)cs1.
What is the InChIKey of N-[(4-chlorothiophen-2-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine?
The InChIKey is GEUBKCFNKZILJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF2NS/c1-9(18-7-11-6-10(15)8-19-11)5-12-13(16)3-2-4-14(12)17/h2-4,6,8-9,18H,5,7H2,1H3.
What are the key properties of N-[(4-chlorothiophen-2-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine?
N-[(4-chlorothiophen-2-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine has a molecular weight of 301.79 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorothiophen-2-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine is sourced from PubChem (CID 79420256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).