1-[2-[2-(diethylamino)ethylsulfanyl]phenyl]propan-1-amine

C15H26N2S — CID 112678701

IUPAC1-[2-[2-(diethylamino)ethylsulfanyl]phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1SCCN(CC)CC
InChIInChI=1S/C15H26N2S/c1-4-14(16)13-9-7-8-10-15(13)18-12-11-17(5-2)6-3/h7-10,14H,4-6,11-12,16H2,1-3H3
InChIKeyJGSWLFCWWSWYKT-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.53
Rot. Bonds8

About 1-[2-[2-(diethylamino)ethylsulfanyl]phenyl]propan-1-amine

1-[2-[2-(diethylamino)ethylsulfanyl]phenyl]propan-1-amine (PubChem CID 112678701) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 1-[2-[2-(diethylamino)ethylsulfanyl]phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[2-[2-(diethylamino)ethylsulfanyl]phenyl]propan-1-amine
PubChem CID112678701
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name1-[2-[2-(diethylamino)ethylsulfanyl]phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1SCCN(CC)CC
InChIInChI=1S/C15H26N2S/c1-4-14(16)13-9-7-8-10-15(13)18-12-11-17(5-2)6-3/h7-10,14H,4-6,11-12,16H2,1-3H3
InChIKeyJGSWLFCWWSWYKT-UHFFFAOYSA-N
XLogP3.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-[2-(diethylamino)ethylsulfanyl]phenyl]propan-1-ol
CID 113359142
3-[2-(1-aminopropyl)phenyl]sulfanylpropan-1-ol
CID 112678713
(1S)-1-(2-benzylsulfanylphenyl)propan-1-amine
CID 103959471
(1S)-1-(2-methylsulfanylphenyl)propan-1-amine
CID 103663388
N'-[2-(1-aminopropyl)phenyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102994199
1-(2-butan-2-ylsulfanylphenyl)propan-1-amine
CID 112678521
(1R)-1-[2-(trifluoromethylsulfanyl)phenyl]propan-1-amine
CID 171211776
2-[2-[(1S)-1-aminopropyl]phenyl]sulfanylpyrimidine-4,6-diamine
CID 103959543
2-[2-(diethylamino)ethylsulfanyl]-5-iodoaniline
CID 66079996
2-(1-aminopropyl)-N-ethyl-N-methylaniline
CID 23460228
(1R)-1-[2-(3,4-dimethylphenyl)sulfanylphenyl]propan-1-amine
CID 103959494
2-[(1S)-1-aminopropyl]benzenethiol
CID 55292723

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(diethylamino)ethylsulfanyl]phenyl]propan-1-amine?
The IUPAC name of 1-[2-[2-(diethylamino)ethylsulfanyl]phenyl]propan-1-amine (CID 112678701) is 1-[2-[2-(diethylamino)ethylsulfanyl]phenyl]propan-1-amine.
What is the SMILES notation for 1-[2-[2-(diethylamino)ethylsulfanyl]phenyl]propan-1-amine?
The canonical SMILES for 1-[2-[2-(diethylamino)ethylsulfanyl]phenyl]propan-1-amine is CCC(N)c1ccccc1SCCN(CC)CC.
What is the InChIKey of 1-[2-[2-(diethylamino)ethylsulfanyl]phenyl]propan-1-amine?
The InChIKey is JGSWLFCWWSWYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-4-14(16)13-9-7-8-10-15(13)18-12-11-17(5-2)6-3/h7-10,14H,4-6,11-12,16H2,1-3H3.
What are the key properties of 1-[2-[2-(diethylamino)ethylsulfanyl]phenyl]propan-1-amine?
1-[2-[2-(diethylamino)ethylsulfanyl]phenyl]propan-1-amine has a molecular weight of 266.45 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(diethylamino)ethylsulfanyl]phenyl]propan-1-amine is sourced from PubChem (CID 112678701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).