2-N-[(4-bromothiophen-2-yl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine

C11H19BrN2OS — CID 103226030

IUPAC2-N-[(4-bromothiophen-2-yl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
SMILESCNCC(COC)N(C)Cc1cc(Br)cs1
InChIInChI=1S/C11H19BrN2OS/c1-13-5-10(7-15-3)14(2)6-11-4-9(12)8-16-11/h4,8,10,13H,5-7H2,1-3H3
InChIKeyQXIQWTPCINNEDE-UHFFFAOYSA-N
MW307.26 g/mol
LogP2.18
Rot. Bonds7

About 2-N-[(4-bromothiophen-2-yl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine

2-N-[(4-bromothiophen-2-yl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 103226030) has the molecular formula C11H19BrN2OS and a molecular weight of 307.26 g/mol. Its IUPAC name is 2-N-[(4-bromothiophen-2-yl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(4-bromothiophen-2-yl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
PubChem CID103226030
Molecular FormulaC11H19BrN2OS
Molecular Weight307.26 g/mol
Exact Mass306.04
IUPAC Name2-N-[(4-bromothiophen-2-yl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
SMILESCNCC(COC)N(C)Cc1cc(Br)cs1
InChIInChI=1S/C11H19BrN2OS/c1-13-5-10(7-15-3)14(2)6-11-4-9(12)8-16-11/h4,8,10,13H,5-7H2,1-3H3
InChIKeyQXIQWTPCINNEDE-UHFFFAOYSA-N
XLogP2.18
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-[(4-bromothiophen-2-yl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine with MolForge

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Related Compounds

2-N-[(4-bromothiophen-2-yl)methyl]-1-N,2-N,3-trimethylbutane-1,2-diamine
CID 62431153
2-N-benzyl-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
CID 103225288
2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]-N-methylpropan-1-amine
CID 105347344
2-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
CID 103225025
1-(4-bromothiophen-2-yl)-3-methoxypropan-2-ol
CID 62606170
2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-(2-methoxyethyl)propan-1-amine
CID 79431151
2-N-[(4-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride
CID 119924812
1-N-[(4-bromothiophen-2-yl)methyl]-4-methoxy-1-N-methylbutane-1,2-diamine
CID 62475450
[1-(4-bromothiophen-2-yl)-5-methoxy-4-methylpentan-2-yl]hydrazine
CID 105299395
2-N-[(4-bromophenyl)methyl]-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225090
2-N-ethyl-3-methoxy-1-N-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 103226198
4-N-[(4-bromothiophen-2-yl)methyl]-4-N-methyl-1-N-propylpentane-1,4-diamine
CID 62430100

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-bromothiophen-2-yl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[(4-bromothiophen-2-yl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine (CID 103226030) is 2-N-[(4-bromothiophen-2-yl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(4-bromothiophen-2-yl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(4-bromothiophen-2-yl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine is CNCC(COC)N(C)Cc1cc(Br)cs1.
What is the InChIKey of 2-N-[(4-bromothiophen-2-yl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is QXIQWTPCINNEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2OS/c1-13-5-10(7-15-3)14(2)6-11-4-9(12)8-16-11/h4,8,10,13H,5-7H2,1-3H3.
What are the key properties of 2-N-[(4-bromothiophen-2-yl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine?
2-N-[(4-bromothiophen-2-yl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 307.26 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-bromothiophen-2-yl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103226030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).