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

C16H20BrN3S — CID 66055710

IUPAC4-[3-(4-bromophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine
SMILESCCNC(CSc1ccc(Br)cc1)Cc1ccnc(N)c1
InChIInChI=1S/C16H20BrN3S/c1-2-19-14(9-12-7-8-20-16(18)10-12)11-21-15-5-3-13(17)4-6-15/h3-8,10,14,19H,2,9,11H2,1H3,(H2,18,20)
InChIKeyFJKFJZLHFBQUGX-UHFFFAOYSA-N
MW366.33 g/mol
LogP3.74
Rot. Bonds7

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

4-[3-(4-bromophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine (PubChem CID 66055710) has the molecular formula C16H20BrN3S and a molecular weight of 366.33 g/mol. Its IUPAC name is 4-[3-(4-bromophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-(4-bromophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine
PubChem CID66055710
Molecular FormulaC16H20BrN3S
Molecular Weight366.33 g/mol
Exact Mass365.06
IUPAC Name4-[3-(4-bromophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine
SMILESCCNC(CSc1ccc(Br)cc1)Cc1ccnc(N)c1
InChIInChI=1S/C16H20BrN3S/c1-2-19-14(9-12-7-8-20-16(18)10-12)11-21-15-5-3-13(17)4-6-15/h3-8,10,14,19H,2,9,11H2,1H3,(H2,18,20)
InChIKeyFJKFJZLHFBQUGX-UHFFFAOYSA-N
XLogP3.74
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)sulfanyl-N-ethyl-3-pyridin-2-ylpropan-2-amine
CID 66055509
4-[3-(2-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-2-amine
CID 66144269
4-[3-propan-2-ylsulfanyl-2-(propylamino)propyl]pyridin-2-amine
CID 65132138
1-(3-bromophenyl)-3-(3-bromophenyl)sulfanyl-N-ethylpropan-2-amine
CID 66161199
1-(4-bromophenyl)sulfanyl-N-ethylhexan-2-amine
CID 66054722
4-[2-(ethylamino)-3-(oxolan-3-yl)propyl]pyridin-2-amine
CID 103987201
1-(4-bromophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine
CID 66057294
1-(4-bromophenyl)sulfanyl-N-ethyl-5,5-dimethylhexan-2-amine
CID 66055914
1-(4-bromophenyl)sulfanyl-N-ethylheptan-2-amine
CID 66054321
1-(4-bromophenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine
CID 66055714
1-(3,4-dichlorophenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine
CID 65143571
1-(4-bromophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine
CID 55087091

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-bromophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine?
The IUPAC name of 4-[3-(4-bromophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine (CID 66055710) is 4-[3-(4-bromophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine.
What is the SMILES notation for 4-[3-(4-bromophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine?
The canonical SMILES for 4-[3-(4-bromophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine is CCNC(CSc1ccc(Br)cc1)Cc1ccnc(N)c1.
What is the InChIKey of 4-[3-(4-bromophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine?
The InChIKey is FJKFJZLHFBQUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3S/c1-2-19-14(9-12-7-8-20-16(18)10-12)11-21-15-5-3-13(17)4-6-15/h3-8,10,14,19H,2,9,11H2,1H3,(H2,18,20).
What are the key properties of 4-[3-(4-bromophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine?
4-[3-(4-bromophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine has a molecular weight of 366.33 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-bromophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine is sourced from PubChem (CID 66055710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).