N'-[(5-bromothiophen-3-yl)methyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine

C17H23BrN2S — CID 62612461

IUPACN'-[(5-bromothiophen-3-yl)methyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
SMILESCCNC(CCN(C)Cc1csc(Br)c1)c1ccccc1
InChIInChI=1S/C17H23BrN2S/c1-3-19-16(15-7-5-4-6-8-15)9-10-20(2)12-14-11-17(18)21-13-14/h4-8,11,13,16,19H,3,9-10,12H2,1-2H3
InChIKeyPMBCWTRHANZMBH-UHFFFAOYSA-N
MW367.36 g/mol
LogP4.68
Rot. Bonds8

About N'-[(5-bromothiophen-3-yl)methyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine

N'-[(5-bromothiophen-3-yl)methyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine (PubChem CID 62612461) has the molecular formula C17H23BrN2S and a molecular weight of 367.36 g/mol. Its IUPAC name is N'-[(5-bromothiophen-3-yl)methyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(5-bromothiophen-3-yl)methyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
PubChem CID62612461
Molecular FormulaC17H23BrN2S
Molecular Weight367.36 g/mol
Exact Mass366.08
IUPAC NameN'-[(5-bromothiophen-3-yl)methyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
SMILESCCNC(CCN(C)Cc1csc(Br)c1)c1ccccc1
InChIInChI=1S/C17H23BrN2S/c1-3-19-16(15-7-5-4-6-8-15)9-10-20(2)12-14-11-17(18)21-13-14/h4-8,11,13,16,19H,3,9-10,12H2,1-2H3
InChIKeyPMBCWTRHANZMBH-UHFFFAOYSA-N
XLogP4.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-benzyl-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 62613091
N-ethyl-N'-methyl-1-phenyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62612447
1-(3-bromophenyl)-N'-[(5-bromothiophen-3-yl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 63493560
N'-[2-(dimethylamino)ethyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 63700866
N-ethyl-N'-methyl-1-phenyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
CID 79490107
N'-methyl-1-phenyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62612607
N'-[3-(dimethylamino)propyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 63699665
3-[(5-bromothiophen-3-yl)methyl-methylamino]-2-methyl-1-phenylpropan-1-ol
CID 62618148
N-ethyl-1-(3-fluorophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62645347
1-(4-bromophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 55098939
N-ethyl-N'-(3-fluorophenyl)-N'-methyl-1-phenylpropane-1,3-diamine
CID 62613117
N'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62557712

Frequently Asked Questions

What is the IUPAC name of N'-[(5-bromothiophen-3-yl)methyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine?
The IUPAC name of N'-[(5-bromothiophen-3-yl)methyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine (CID 62612461) is N'-[(5-bromothiophen-3-yl)methyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-[(5-bromothiophen-3-yl)methyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine?
The canonical SMILES for N'-[(5-bromothiophen-3-yl)methyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine is CCNC(CCN(C)Cc1csc(Br)c1)c1ccccc1.
What is the InChIKey of N'-[(5-bromothiophen-3-yl)methyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine?
The InChIKey is PMBCWTRHANZMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2S/c1-3-19-16(15-7-5-4-6-8-15)9-10-20(2)12-14-11-17(18)21-13-14/h4-8,11,13,16,19H,3,9-10,12H2,1-2H3.
What are the key properties of N'-[(5-bromothiophen-3-yl)methyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine?
N'-[(5-bromothiophen-3-yl)methyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine has a molecular weight of 367.36 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-bromothiophen-3-yl)methyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 62612461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).