1-N-[(4-bromothiophen-2-yl)methyl]-1-N-methyl-1-phenylpropane-1,2-diamine

C15H19BrN2S — CID 55017742

IUPAC1-N-[(4-bromothiophen-2-yl)methyl]-1-N-methyl-1-phenylpropane-1,2-diamine
SMILESCC(N)C(c1ccccc1)N(C)Cc1cc(Br)cs1
InChIInChI=1S/C15H19BrN2S/c1-11(17)15(12-6-4-3-5-7-12)18(2)9-14-8-13(16)10-19-14/h3-8,10-11,15H,9,17H2,1-2H3
InChIKeyAWGUOEVXKMYSOJ-UHFFFAOYSA-N
MW339.30 g/mol
LogP4.03
Rot. Bonds5

About 1-N-[(4-bromothiophen-2-yl)methyl]-1-N-methyl-1-phenylpropane-1,2-diamine

1-N-[(4-bromothiophen-2-yl)methyl]-1-N-methyl-1-phenylpropane-1,2-diamine (PubChem CID 55017742) has the molecular formula C15H19BrN2S and a molecular weight of 339.30 g/mol. Its IUPAC name is 1-N-[(4-bromothiophen-2-yl)methyl]-1-N-methyl-1-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(4-bromothiophen-2-yl)methyl]-1-N-methyl-1-phenylpropane-1,2-diamine
PubChem CID55017742
Molecular FormulaC15H19BrN2S
Molecular Weight339.30 g/mol
Exact Mass338.05
IUPAC Name1-N-[(4-bromothiophen-2-yl)methyl]-1-N-methyl-1-phenylpropane-1,2-diamine
SMILESCC(N)C(c1ccccc1)N(C)Cc1cc(Br)cs1
InChIInChI=1S/C15H19BrN2S/c1-11(17)15(12-6-4-3-5-7-12)18(2)9-14-8-13(16)10-19-14/h3-8,10-11,15H,9,17H2,1-2H3
InChIKeyAWGUOEVXKMYSOJ-UHFFFAOYSA-N
XLogP4.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-[(4-bromothiophen-2-yl)methyl]-1-N-methyl-1-phenylpropane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-[(4-bromothiophen-2-yl)methyl]-1-N-methyl-1-thiophen-2-ylpropane-1,2-diamine
CID 55021914
1-N-[(5-chlorothiophen-2-yl)methyl]-1-N-methyl-1-phenylpropane-1,2-diamine
CID 55017456
2-N-[(4-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride
CID 119924812
N-benzyl-N-[(4-bromothiophen-2-yl)methyl]propan-2-amine
CID 63464320
3-amino-N-[(4-bromothiophen-2-yl)methyl]-2-methyl-3-phenylpropanamide
CID 80552252
1-(4-bromothiophen-2-yl)-3-phenylbutan-2-ol
CID 65149345
1-N-methyl-1-phenyl-1-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 55017455
3-[(4-bromothiophen-2-yl)methyl-methylamino]-2-phenylpropanimidamide
CID 64538106
3-(1-aminoethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpyridin-2-amine
CID 114055996
(2S)-2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-phenylpropanamide
CID 61162616
2-(3-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpropanamide
CID 106591084
N-[3-(4-bromothiophen-2-yl)-2-phenylpropyl]-2-methylpropan-1-amine
CID 65429324

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-bromothiophen-2-yl)methyl]-1-N-methyl-1-phenylpropane-1,2-diamine?
The IUPAC name of 1-N-[(4-bromothiophen-2-yl)methyl]-1-N-methyl-1-phenylpropane-1,2-diamine (CID 55017742) is 1-N-[(4-bromothiophen-2-yl)methyl]-1-N-methyl-1-phenylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[(4-bromothiophen-2-yl)methyl]-1-N-methyl-1-phenylpropane-1,2-diamine?
The canonical SMILES for 1-N-[(4-bromothiophen-2-yl)methyl]-1-N-methyl-1-phenylpropane-1,2-diamine is CC(N)C(c1ccccc1)N(C)Cc1cc(Br)cs1.
What is the InChIKey of 1-N-[(4-bromothiophen-2-yl)methyl]-1-N-methyl-1-phenylpropane-1,2-diamine?
The InChIKey is AWGUOEVXKMYSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2S/c1-11(17)15(12-6-4-3-5-7-12)18(2)9-14-8-13(16)10-19-14/h3-8,10-11,15H,9,17H2,1-2H3.
What are the key properties of 1-N-[(4-bromothiophen-2-yl)methyl]-1-N-methyl-1-phenylpropane-1,2-diamine?
1-N-[(4-bromothiophen-2-yl)methyl]-1-N-methyl-1-phenylpropane-1,2-diamine has a molecular weight of 339.30 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-bromothiophen-2-yl)methyl]-1-N-methyl-1-phenylpropane-1,2-diamine is sourced from PubChem (CID 55017742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).