N-[3-(4-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]-2-methylpropan-1-amine

C17H21BrFNS — CID 79432215

IUPACN-[3-(4-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(Cc1cc(Br)cs1)c1cccc(F)c1
InChIInChI=1S/C17H21BrFNS/c1-12(2)9-20-10-14(7-17-8-15(18)11-21-17)13-4-3-5-16(19)6-13/h3-6,8,11-12,14,20H,7,9-10H2,1-2H3
InChIKeyMVVLRZPACLINLC-UHFFFAOYSA-N
MW370.33 g/mol
LogP5.22
Rot. Bonds7

About N-[3-(4-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]-2-methylpropan-1-amine

N-[3-(4-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]-2-methylpropan-1-amine (PubChem CID 79432215) has the molecular formula C17H21BrFNS and a molecular weight of 370.33 g/mol. Its IUPAC name is N-[3-(4-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-(4-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]-2-methylpropan-1-amine
PubChem CID79432215
Molecular FormulaC17H21BrFNS
Molecular Weight370.33 g/mol
Exact Mass369.06
IUPAC NameN-[3-(4-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(Cc1cc(Br)cs1)c1cccc(F)c1
InChIInChI=1S/C17H21BrFNS/c1-12(2)9-20-10-14(7-17-8-15(18)11-21-17)13-4-3-5-16(19)6-13/h3-6,8,11-12,14,20H,7,9-10H2,1-2H3
InChIKeyMVVLRZPACLINLC-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.33
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(4-bromothiophen-2-yl)-2-phenylpropyl]-2-methylpropan-1-amine
CID 65429324
N-[2-(3-fluorophenyl)-3-(1,3-thiazol-5-yl)propyl]-2-methylpropan-1-amine
CID 115979461
2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-propan-2-ylpropan-1-amine
CID 79443581
2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-(2-methoxyethyl)propan-1-amine
CID 79431151
[2-(4-bromothiophen-2-yl)-1-(3-fluorophenyl)ethyl]hydrazine
CID 105193124
2-(3-fluorophenyl)-4-methyl-N-(2-methylpropyl)hexan-1-amine
CID 79440359
N-[2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propyl]-2-methylpropan-2-amine
CID 79430849
2-(3-fluorophenyl)-5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine
CID 79440050
2-(3-fluorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 79440969
1-(3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904161
2-(3-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 66243831
3-(3-bromophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine
CID 79440215

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-(4-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]-2-methylpropan-1-amine (CID 79432215) is N-[3-(4-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-(4-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-(4-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]-2-methylpropan-1-amine is CC(C)CNCC(Cc1cc(Br)cs1)c1cccc(F)c1.
What is the InChIKey of N-[3-(4-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]-2-methylpropan-1-amine?
The InChIKey is MVVLRZPACLINLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrFNS/c1-12(2)9-20-10-14(7-17-8-15(18)11-21-17)13-4-3-5-16(19)6-13/h3-6,8,11-12,14,20H,7,9-10H2,1-2H3.
What are the key properties of N-[3-(4-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]-2-methylpropan-1-amine?
N-[3-(4-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]-2-methylpropan-1-amine has a molecular weight of 370.33 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79432215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).