2-(4-bromophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)propan-1-amine

C18H22BrNS — CID 64614946

IUPAC2-(4-bromophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)propan-1-amine
SMILESCCNC(c1ccc(C)cc1)C(C)Sc1ccc(Br)cc1
InChIInChI=1S/C18H22BrNS/c1-4-20-18(15-7-5-13(2)6-8-15)14(3)21-17-11-9-16(19)10-12-17/h5-12,14,18,20H,4H2,1-3H3
InChIKeyJGGVBMSLTOQKLF-UHFFFAOYSA-N
MW364.35 g/mol
LogP5.59
Rot. Bonds6

About 2-(4-bromophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)propan-1-amine

2-(4-bromophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)propan-1-amine (PubChem CID 64614946) has the molecular formula C18H22BrNS and a molecular weight of 364.35 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)propan-1-amine
PubChem CID64614946
Molecular FormulaC18H22BrNS
Molecular Weight364.35 g/mol
Exact Mass363.07
IUPAC Name2-(4-bromophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)propan-1-amine
SMILESCCNC(c1ccc(C)cc1)C(C)Sc1ccc(Br)cc1
InChIInChI=1S/C18H22BrNS/c1-4-20-18(15-7-5-13(2)6-8-15)14(3)21-17-11-9-16(19)10-12-17/h5-12,14,18,20H,4H2,1-3H3
InChIKeyJGGVBMSLTOQKLF-UHFFFAOYSA-N
XLogP5.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.35
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-methylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine
CID 64612135
N-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-methylphenyl)propan-1-amine
CID 64633884
2-(3-bromophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine
CID 64634165
N-ethyl-2-methyl-1-(4-methylphenyl)butan-1-amine
CID 43489330
N-ethyl-1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)propan-1-amine
CID 79333225
N-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfanyl)propan-1-amine
CID 64611477
2-(3,4-difluorophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine
CID 64612846
1-(4-methoxyphenyl)-N-methyl-2-(4-methylphenyl)sulfanylpropan-1-amine
CID 64621620
2-cyclopropyl-N-ethyl-1-(4-methylphenyl)propan-1-amine
CID 83154579
N-ethyl-2-(2-methyloxolan-3-yl)sulfanyl-1-(4-methylphenyl)propan-1-amine
CID 107762569
2-(4-bromophenyl)-N-ethylpentan-3-amine
CID 79308085
2-(3,4-difluorophenyl)sulfanyl-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 64612638

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)propan-1-amine?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)propan-1-amine (CID 64614946) is 2-(4-bromophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)propan-1-amine is CCNC(c1ccc(C)cc1)C(C)Sc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)propan-1-amine?
The InChIKey is JGGVBMSLTOQKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNS/c1-4-20-18(15-7-5-13(2)6-8-15)14(3)21-17-11-9-16(19)10-12-17/h5-12,14,18,20H,4H2,1-3H3.
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)propan-1-amine?
2-(4-bromophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)propan-1-amine has a molecular weight of 364.35 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 64614946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).