N-ethyl-2-(2-methylphenyl)sulfanyl-1-phenylbutan-1-amine

C19H25NS — CID 64649271

IUPACN-ethyl-2-(2-methylphenyl)sulfanyl-1-phenylbutan-1-amine
SMILESCCNC(c1ccccc1)C(CC)Sc1ccccc1C
InChIInChI=1S/C19H25NS/c1-4-17(21-18-14-10-9-11-15(18)3)19(20-5-2)16-12-7-6-8-13-16/h6-14,17,19-20H,4-5H2,1-3H3
InChIKeyQFCGVYVFLLPHFD-UHFFFAOYSA-N
MW299.48 g/mol
LogP5.22
Rot. Bonds7

About N-ethyl-2-(2-methylphenyl)sulfanyl-1-phenylbutan-1-amine

N-ethyl-2-(2-methylphenyl)sulfanyl-1-phenylbutan-1-amine (PubChem CID 64649271) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is N-ethyl-2-(2-methylphenyl)sulfanyl-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-methylphenyl)sulfanyl-1-phenylbutan-1-amine
PubChem CID64649271
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC NameN-ethyl-2-(2-methylphenyl)sulfanyl-1-phenylbutan-1-amine
SMILESCCNC(c1ccccc1)C(CC)Sc1ccccc1C
InChIInChI=1S/C19H25NS/c1-4-17(21-18-14-10-9-11-15(18)3)19(20-5-2)16-12-7-6-8-13-16/h6-14,17,19-20H,4-5H2,1-3H3
InChIKeyQFCGVYVFLLPHFD-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.48
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-phenyl-2-propylsulfanylbutan-1-amine
CID 64614895
2-butylsulfanyl-N-ethyl-1-phenylbutan-1-amine
CID 64609645
2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylethanol
CID 64615452
2-(3-chlorophenyl)sulfanyl-N-ethyl-1-phenylbutan-1-amine
CID 64632520
N-ethyl-2-(3-methylbutylsulfanyl)-1-phenylbutan-1-amine
CID 107763889
2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol
CID 113374028
3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol
CID 66127944
3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylbutan-2-ol
CID 107772701
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-1-phenylbutan-1-amine
CID 64630232
N-ethyl-2-(1-methylpyrazol-4-yl)sulfanyl-1-phenylbutan-1-amine
CID 64627603
2-(2-methylfuran-3-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine
CID 107784222
N-ethyl-2-ethylsulfanyl-1-phenylpropan-1-amine
CID 64612976

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylphenyl)sulfanyl-1-phenylbutan-1-amine?
The IUPAC name of N-ethyl-2-(2-methylphenyl)sulfanyl-1-phenylbutan-1-amine (CID 64649271) is N-ethyl-2-(2-methylphenyl)sulfanyl-1-phenylbutan-1-amine.
What is the SMILES notation for N-ethyl-2-(2-methylphenyl)sulfanyl-1-phenylbutan-1-amine?
The canonical SMILES for N-ethyl-2-(2-methylphenyl)sulfanyl-1-phenylbutan-1-amine is CCNC(c1ccccc1)C(CC)Sc1ccccc1C.
What is the InChIKey of N-ethyl-2-(2-methylphenyl)sulfanyl-1-phenylbutan-1-amine?
The InChIKey is QFCGVYVFLLPHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-4-17(21-18-14-10-9-11-15(18)3)19(20-5-2)16-12-7-6-8-13-16/h6-14,17,19-20H,4-5H2,1-3H3.
What are the key properties of N-ethyl-2-(2-methylphenyl)sulfanyl-1-phenylbutan-1-amine?
N-ethyl-2-(2-methylphenyl)sulfanyl-1-phenylbutan-1-amine has a molecular weight of 299.48 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylphenyl)sulfanyl-1-phenylbutan-1-amine is sourced from PubChem (CID 64649271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).