(4-ethoxyphenyl)-(4-ethylsulfanylphenyl)methanamine

C17H21NOS — CID 106848489

IUPAC(4-ethoxyphenyl)-(4-ethylsulfanylphenyl)methanamine
SMILESCCOc1ccc(C(N)c2ccc(SCC)cc2)cc1
InChIInChI=1S/C17H21NOS/c1-3-19-15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20-4-2/h5-12,17H,3-4,18H2,1-2H3
InChIKeyRAAZTDDKEBGBNO-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.25
Rot. Bonds6

About (4-ethoxyphenyl)-(4-ethylsulfanylphenyl)methanamine

(4-ethoxyphenyl)-(4-ethylsulfanylphenyl)methanamine (PubChem CID 106848489) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is (4-ethoxyphenyl)-(4-ethylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(4-ethoxyphenyl)-(4-ethylsulfanylphenyl)methanamine
PubChem CID106848489
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name(4-ethoxyphenyl)-(4-ethylsulfanylphenyl)methanamine
SMILESCCOc1ccc(C(N)c2ccc(SCC)cc2)cc1
InChIInChI=1S/C17H21NOS/c1-3-19-15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20-4-2/h5-12,17H,3-4,18H2,1-2H3
InChIKeyRAAZTDDKEBGBNO-UHFFFAOYSA-N
XLogP4.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-(4-ethoxyphenyl)-thiophen-3-ylmethanamine
CID 93053796
(R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239826
(4-ethylsulfanylphenyl)methanediamine
CID 116939199
(4-ethylsulfanylphenyl)-(2-methoxyphenyl)methanamine
CID 106848520
(4-ethoxyphenyl)-(1H-pyrazol-4-yl)methanamine
CID 82239705
amino-(4-ethoxyphenyl)methanol
CID 116939610
2-(4-ethoxyphenyl)pentan-3-amine
CID 79308575
3-(4-ethylsulfanylphenoxy)propan-1-amine
CID 98783329
S-(4-ethoxyphenyl)thiohydroxylamine
CID 117033765
(2-ethoxyphenyl)-(4-ethoxyphenyl)methanamine
CID 43197136
(4-ethylsulfanylphenyl)-(furan-3-yl)methanamine
CID 106848700
(4-ethoxyphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124250

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-(4-ethylsulfanylphenyl)methanamine?
The IUPAC name of (4-ethoxyphenyl)-(4-ethylsulfanylphenyl)methanamine (CID 106848489) is (4-ethoxyphenyl)-(4-ethylsulfanylphenyl)methanamine.
What is the SMILES notation for (4-ethoxyphenyl)-(4-ethylsulfanylphenyl)methanamine?
The canonical SMILES for (4-ethoxyphenyl)-(4-ethylsulfanylphenyl)methanamine is CCOc1ccc(C(N)c2ccc(SCC)cc2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-(4-ethylsulfanylphenyl)methanamine?
The InChIKey is RAAZTDDKEBGBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-3-19-15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20-4-2/h5-12,17H,3-4,18H2,1-2H3.
What are the key properties of (4-ethoxyphenyl)-(4-ethylsulfanylphenyl)methanamine?
(4-ethoxyphenyl)-(4-ethylsulfanylphenyl)methanamine has a molecular weight of 287.43 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-(4-ethylsulfanylphenyl)methanamine is sourced from PubChem (CID 106848489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).