2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]-N-methylpropan-1-amine

C17H23BrN2S — CID 105347344

IUPAC2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]-N-methylpropan-1-amine
SMILESCNCC(C)c1ccc(CN(C)Cc2cc(Br)cs2)cc1
InChIInChI=1S/C17H23BrN2S/c1-13(9-19-2)15-6-4-14(5-7-15)10-20(3)11-17-8-16(18)12-21-17/h4-8,12-13,19H,9-11H2,1-3H3
InChIKeyYQXKSCVJIXMHPN-UHFFFAOYSA-N
MW367.36 g/mol
LogP4.47
Rot. Bonds7

About 2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]-N-methylpropan-1-amine

2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]-N-methylpropan-1-amine (PubChem CID 105347344) has the molecular formula C17H23BrN2S and a molecular weight of 367.36 g/mol. Its IUPAC name is 2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]-N-methylpropan-1-amine
PubChem CID105347344
Molecular FormulaC17H23BrN2S
Molecular Weight367.36 g/mol
Exact Mass366.08
IUPAC Name2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]-N-methylpropan-1-amine
SMILESCNCC(C)c1ccc(CN(C)Cc2cc(Br)cs2)cc1
InChIInChI=1S/C17H23BrN2S/c1-13(9-19-2)15-6-4-14(5-7-15)10-20(3)11-17-8-16(18)12-21-17/h4-8,12-13,19H,9-11H2,1-3H3
InChIKeyYQXKSCVJIXMHPN-UHFFFAOYSA-N
XLogP4.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[ethyl(methyl)amino]methyl]phenyl]-N-methylpropan-1-amine
CID 105346793
N-[(4-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine
CID 63458325
2-[4-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]-N-methylpropan-1-amine
CID 105346970
2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]acetohydrazide
CID 105351841
2-N-[(4-bromothiophen-2-yl)methyl]-1-N,2-N,3-trimethylbutane-1,2-diamine
CID 62431153
2-N-[(4-bromothiophen-2-yl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
CID 103226030
N-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]propan-1-amine
CID 105347517
N-methyl-N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]aniline
CID 105346501
N-[(4-bromothiophen-2-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
CID 54942400
4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2-fluoroaniline
CID 63189170
N-benzyl-N-[(4-bromothiophen-2-yl)methyl]propan-2-amine
CID 63464320
N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107556552

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]-N-methylpropan-1-amine?
The IUPAC name of 2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]-N-methylpropan-1-amine (CID 105347344) is 2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]-N-methylpropan-1-amine is CNCC(C)c1ccc(CN(C)Cc2cc(Br)cs2)cc1.
What is the InChIKey of 2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]-N-methylpropan-1-amine?
The InChIKey is YQXKSCVJIXMHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2S/c1-13(9-19-2)15-6-4-14(5-7-15)10-20(3)11-17-8-16(18)12-21-17/h4-8,12-13,19H,9-11H2,1-3H3.
What are the key properties of 2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]-N-methylpropan-1-amine?
2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]-N-methylpropan-1-amine has a molecular weight of 367.36 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 105347344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).