N-[2-(4-bromophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine

C17H21BrN2S — CID 66274003

IUPACN-[2-(4-bromophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(CSc1ccc(Br)cc1)c1cnccc1C
InChIInChI=1S/C17H21BrN2S/c1-3-9-20-17(16-11-19-10-8-13(16)2)12-21-15-6-4-14(18)5-7-15/h4-8,10-11,17,20H,3,9,12H2,1-2H3
InChIKeyKJNXFHLMYDYXIX-UHFFFAOYSA-N
MW365.34 g/mol
LogP4.99
Rot. Bonds7

About N-[2-(4-bromophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine

N-[2-(4-bromophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine (PubChem CID 66274003) has the molecular formula C17H21BrN2S and a molecular weight of 365.34 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
PubChem CID66274003
Molecular FormulaC17H21BrN2S
Molecular Weight365.34 g/mol
Exact Mass364.06
IUPAC NameN-[2-(4-bromophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(CSc1ccc(Br)cc1)c1cnccc1C
InChIInChI=1S/C17H21BrN2S/c1-3-9-20-17(16-11-19-10-8-13(16)2)12-21-15-6-4-14(18)5-7-15/h4-8,10-11,17,20H,3,9,12H2,1-2H3
InChIKeyKJNXFHLMYDYXIX-UHFFFAOYSA-N
XLogP4.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromophenyl)sulfanyl-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 66056115
N-[2-(2,6-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 114878534
2-(4-bromophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 66274181
N-ethyl-1-(4-methyl-3-pyridinyl)-2-methylsulfanylethanamine
CID 66272071
N-[1-(3-bromofuran-2-yl)-2-(4-bromophenyl)sulfanylethyl]propan-1-amine
CID 66054930
N-[1-(2-methylphenyl)-2-pyrazin-2-ylsulfanylethyl]propan-1-amine
CID 64628229
1-(4-methyl-3-pyridinyl)-N-propylpent-4-en-1-amine
CID 114878598
N-[2-(3,5-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 66274194
N-[(4-methyl-3-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 66271195
3-[2-(3-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-4-amine
CID 66148525
N-[1-(2-methylphenyl)-2-pyrimidin-4-ylsulfanylethyl]propan-1-amine
CID 64627451
N-[1-(4-methyl-3-pyridinyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine
CID 114878605

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-bromophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine (CID 66274003) is N-[2-(4-bromophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-bromophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-bromophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine is CCCNC(CSc1ccc(Br)cc1)c1cnccc1C.
What is the InChIKey of N-[2-(4-bromophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine?
The InChIKey is KJNXFHLMYDYXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2S/c1-3-9-20-17(16-11-19-10-8-13(16)2)12-21-15-6-4-14(18)5-7-15/h4-8,10-11,17,20H,3,9,12H2,1-2H3.
What are the key properties of N-[2-(4-bromophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine?
N-[2-(4-bromophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine has a molecular weight of 365.34 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 66274003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).