3-[3-(4-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-4-amine

C15H18BrN3S — CID 66056891

IUPAC3-[3-(4-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-4-amine
SMILESCNC(CSc1ccc(Br)cc1)Cc1cnccc1N
InChIInChI=1S/C15H18BrN3S/c1-18-13(8-11-9-19-7-6-15(11)17)10-20-14-4-2-12(16)3-5-14/h2-7,9,13,18H,8,10H2,1H3,(H2,17,19)
InChIKeyDWAUETNMPVEVBT-UHFFFAOYSA-N
MW352.30 g/mol
LogP3.35
Rot. Bonds6

About 3-[3-(4-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-4-amine

3-[3-(4-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-4-amine (PubChem CID 66056891) has the molecular formula C15H18BrN3S and a molecular weight of 352.30 g/mol. Its IUPAC name is 3-[3-(4-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[3-(4-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-4-amine
PubChem CID66056891
Molecular FormulaC15H18BrN3S
Molecular Weight352.30 g/mol
Exact Mass351.04
IUPAC Name3-[3-(4-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-4-amine
SMILESCNC(CSc1ccc(Br)cc1)Cc1cnccc1N
InChIInChI=1S/C15H18BrN3S/c1-18-13(8-11-9-19-7-6-15(11)17)10-20-14-4-2-12(16)3-5-14/h2-7,9,13,18H,8,10H2,1H3,(H2,17,19)
InChIKeyDWAUETNMPVEVBT-UHFFFAOYSA-N
XLogP3.35
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(4-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-4-amine
CID 66144184
1-(4-bromophenyl)sulfanyl-3-(1-ethylimidazol-2-yl)-N-methylpropan-2-amine
CID 79760889
1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine
CID 66054719
1-(4-bromophenyl)sulfanyl-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 66056486
3-[2-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)ethyl]pyridin-4-amine
CID 114330482
3-[2-(methylamino)-3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-amine
CID 103474473
3-[1-(methylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-4-amine
CID 66065398
3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-4-amine
CID 82810474
[1-(3-bromophenyl)sulfanyl-3-(3-chloro-4-pyridinyl)propan-2-yl]hydrazine
CID 105238384
[1-(4-bromophenyl)sulfanyl-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105235891
1-(2-chlorophenyl)sulfanyl-3-(3-chloro-4-pyridinyl)-N-methylpropan-2-amine
CID 66139956
3-(2-hydrazinyl-3-methylbutyl)pyridin-4-amine
CID 105199730

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-4-amine?
The IUPAC name of 3-[3-(4-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-4-amine (CID 66056891) is 3-[3-(4-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-4-amine.
What is the SMILES notation for 3-[3-(4-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-4-amine?
The canonical SMILES for 3-[3-(4-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-4-amine is CNC(CSc1ccc(Br)cc1)Cc1cnccc1N.
What is the InChIKey of 3-[3-(4-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-4-amine?
The InChIKey is DWAUETNMPVEVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3S/c1-18-13(8-11-9-19-7-6-15(11)17)10-20-14-4-2-12(16)3-5-14/h2-7,9,13,18H,8,10H2,1H3,(H2,17,19).
What are the key properties of 3-[3-(4-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-4-amine?
3-[3-(4-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-4-amine has a molecular weight of 352.30 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-4-amine is sourced from PubChem (CID 66056891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).