N-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine

C17H21BrFNS — CID 107354180

IUPACN-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine
SMILESCC(NC(c1ccc(F)cc1)C(C)(C)C)c1cc(Br)cs1
InChIInChI=1S/C17H21BrFNS/c1-11(15-9-13(18)10-21-15)20-16(17(2,3)4)12-5-7-14(19)8-6-12/h5-11,16,20H,1-4H3
InChIKeyRJFUGOVMDWFERO-UHFFFAOYSA-N
MW370.33 g/mol
LogP6.09
Rot. Bonds4

About N-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine

N-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine (PubChem CID 107354180) has the molecular formula C17H21BrFNS and a molecular weight of 370.33 g/mol. Its IUPAC name is N-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine
PubChem CID107354180
Molecular FormulaC17H21BrFNS
Molecular Weight370.33 g/mol
Exact Mass369.06
IUPAC NameN-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine
SMILESCC(NC(c1ccc(F)cc1)C(C)(C)C)c1cc(Br)cs1
InChIInChI=1S/C17H21BrFNS/c1-11(15-9-13(18)10-21-15)20-16(17(2,3)4)12-5-7-14(19)8-6-12/h5-11,16,20H,1-4H3
InChIKeyRJFUGOVMDWFERO-UHFFFAOYSA-N
XLogP6.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.33
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 107354090
5-bromo-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]thiophene-3-carboxamide
CID 63524941
[1-(4-bromothiophen-2-yl)-2,2-dimethylpropyl]hydrazine
CID 105222605
2-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]propane-1,2-diamine
CID 103388771
(1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine
CID 95366093
1-(3-bromo-4-methoxyphenyl)-N-[1-(4-bromothiophen-2-yl)ethyl]ethanamine
CID 107354175
1-(4-fluorophenyl)-2,2-dimethyl-N-(1-thiophen-2-ylpropyl)propan-1-amine
CID 43735017
(2S)-2-[[(1R)-1-(4-bromothiophen-2-yl)ethyl]amino]propan-1-ol
CID 124626932
N-[1-(4-bromothiophen-2-yl)ethyl]-2,6-difluoro-3-methylaniline
CID 107354512
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81354443
1-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol
CID 107167432
2-[1-(4-bromothiophen-2-yl)ethylamino]-2-phenylethanol
CID 107167453

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of N-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine (CID 107354180) is N-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine is CC(NC(c1ccc(F)cc1)C(C)(C)C)c1cc(Br)cs1.
What is the InChIKey of N-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine?
The InChIKey is RJFUGOVMDWFERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrFNS/c1-11(15-9-13(18)10-21-15)20-16(17(2,3)4)12-5-7-14(19)8-6-12/h5-11,16,20H,1-4H3.
What are the key properties of N-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine?
N-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine has a molecular weight of 370.33 g/mol, XLogP of 6.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 107354180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).