N-[(3-ethylsulfanylphenyl)methyl]propan-2-amine

C12H19NS — CID 66349042

IUPACN-[(3-ethylsulfanylphenyl)methyl]propan-2-amine
SMILESCCSc1cccc(CNC(C)C)c1
InChIInChI=1S/C12H19NS/c1-4-14-12-7-5-6-11(8-12)9-13-10(2)3/h5-8,10,13H,4,9H2,1-3H3
InChIKeyZLTDPMSZLNKPQO-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.30
Rot. Bonds5

About N-[(3-ethylsulfanylphenyl)methyl]propan-2-amine

N-[(3-ethylsulfanylphenyl)methyl]propan-2-amine (PubChem CID 66349042) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is N-[(3-ethylsulfanylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-ethylsulfanylphenyl)methyl]propan-2-amine
PubChem CID66349042
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC NameN-[(3-ethylsulfanylphenyl)methyl]propan-2-amine
SMILESCCSc1cccc(CNC(C)C)c1
InChIInChI=1S/C12H19NS/c1-4-14-12-7-5-6-11(8-12)9-13-10(2)3/h5-8,10,13H,4,9H2,1-3H3
InChIKeyZLTDPMSZLNKPQO-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(ethoxymethylsulfanyl)phenyl]methyl]propan-2-amine
CID 66349257
1-[3-[(propan-2-ylamino)methyl]phenyl]sulfanylbutan-2-ol
CID 66347490
N-[[3-[(3-chlorophenyl)methylsulfanyl]phenyl]methyl]propan-2-amine
CID 66346718
3-[[3-[(propan-2-ylamino)methyl]phenyl]sulfanylmethyl]pentan-3-ol
CID 114497055
N-[[3-(2-methylprop-2-enylsulfanyl)phenyl]methyl]propan-2-amine
CID 66347696
N-[[3-(2-cyclopropylethylsulfanyl)phenyl]methyl]propan-2-amine
CID 66347703
N-[[3-[(2-methylphenyl)methylsulfanyl]phenyl]methyl]propan-2-amine
CID 66346908
N-propan-2-yl-3-[3-[(propan-2-ylamino)methyl]phenyl]sulfanylpropanamide
CID 66349249
N-[[3-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]phenyl]methyl]propan-2-amine
CID 82888283
N-[[3-[(1-methylpyrazol-4-yl)methylsulfanyl]phenyl]methyl]propan-2-amine
CID 66349645
N-[[3-[(3-bromothiophen-2-yl)methylsulfanyl]phenyl]methyl]propan-2-amine
CID 66349053
1-piperidin-1-yl-2-[3-[(propan-2-ylamino)methyl]phenyl]sulfanylethanone
CID 66348467

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylsulfanylphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(3-ethylsulfanylphenyl)methyl]propan-2-amine (CID 66349042) is N-[(3-ethylsulfanylphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-ethylsulfanylphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-ethylsulfanylphenyl)methyl]propan-2-amine is CCSc1cccc(CNC(C)C)c1.
What is the InChIKey of N-[(3-ethylsulfanylphenyl)methyl]propan-2-amine?
The InChIKey is ZLTDPMSZLNKPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-4-14-12-7-5-6-11(8-12)9-13-10(2)3/h5-8,10,13H,4,9H2,1-3H3.
What are the key properties of N-[(3-ethylsulfanylphenyl)methyl]propan-2-amine?
N-[(3-ethylsulfanylphenyl)methyl]propan-2-amine has a molecular weight of 209.36 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylsulfanylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 66349042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).