2-N-[(4-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride

C9H16BrClN2S — CID 119924812

IUPAC2-N-[(4-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride
SMILESCC(CN)N(C)Cc1cc(Br)cs1.Cl
InChIInChI=1S/C9H15BrN2S.ClH/c1-7(4-11)12(2)5-9-3-8(10)6-13-9;/h3,6-7H,4-5,11H2,1-2H3;1H
InChIKeyQIKOFAPBIBRNHG-UHFFFAOYSA-N
MW299.67 g/mol
LogP2.71
Rot. Bonds4

About 2-N-[(4-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride

2-N-[(4-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride (PubChem CID 119924812) has the molecular formula C9H16BrClN2S and a molecular weight of 299.67 g/mol. Its IUPAC name is 2-N-[(4-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-[(4-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride
PubChem CID119924812
Molecular FormulaC9H16BrClN2S
Molecular Weight299.67 g/mol
Exact Mass297.99
IUPAC Name2-N-[(4-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride
SMILESCC(CN)N(C)Cc1cc(Br)cs1.Cl
InChIInChI=1S/C9H15BrN2S.ClH/c1-7(4-11)12(2)5-9-3-8(10)6-13-9;/h3,6-7H,4-5,11H2,1-2H3;1H
InChIKeyQIKOFAPBIBRNHG-UHFFFAOYSA-N
XLogP2.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.67
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-[(4-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride 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

2-N-[(4-chlorothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride
CID 120840356
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 62385960
4-N-[(4-bromothiophen-2-yl)methyl]-4-N-methyl-1-N-propylpentane-1,4-diamine
CID 62430100
3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide
CID 62670361
N'-[(4-bromothiophen-2-yl)methyl]-2-ethyl-N'-methylbutane-1,4-diamine
CID 81079439
4-(4-bromothiophen-2-yl)-2,3-dimethylbutan-1-amine
CID 81009780
2-N-[(4-bromothiophen-2-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190706
3-amino-N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-N-methylpropanamide
CID 106112087
1-N-[(4-bromothiophen-2-yl)methyl]-1-N-methyl-1-phenylpropane-1,2-diamine
CID 55017742
4-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide
CID 81087845
2-N-[(4-bromothiophen-2-yl)methyl]-1-N,2-N,3-trimethylbutane-1,2-diamine
CID 62431153
2-N-[(3-bromo-5-fluorophenyl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride
CID 119924830

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride?
The IUPAC name of 2-N-[(4-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride (CID 119924812) is 2-N-[(4-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride.
What is the SMILES notation for 2-N-[(4-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride?
The canonical SMILES for 2-N-[(4-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride is CC(CN)N(C)Cc1cc(Br)cs1.Cl.
What is the InChIKey of 2-N-[(4-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride?
The InChIKey is QIKOFAPBIBRNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2S.ClH/c1-7(4-11)12(2)5-9-3-8(10)6-13-9;/h3,6-7H,4-5,11H2,1-2H3;1H.
What are the key properties of 2-N-[(4-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride?
2-N-[(4-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride has a molecular weight of 299.67 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride is sourced from PubChem (CID 119924812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).