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

C11H19BrN2OS — CID 62475450

IUPAC1-N-[(4-bromothiophen-2-yl)methyl]-4-methoxy-1-N-methylbutane-1,2-diamine
SMILESCOCCC(N)CN(C)Cc1cc(Br)cs1
InChIInChI=1S/C11H19BrN2OS/c1-14(6-10(13)3-4-15-2)7-11-5-9(12)8-16-11/h5,8,10H,3-4,6-7,13H2,1-2H3
InChIKeyDWLNAKVPGHFBAZ-UHFFFAOYSA-N
MW307.26 g/mol
LogP2.31
Rot. Bonds7

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

1-N-[(4-bromothiophen-2-yl)methyl]-4-methoxy-1-N-methylbutane-1,2-diamine (PubChem CID 62475450) has the molecular formula C11H19BrN2OS and a molecular weight of 307.26 g/mol. Its IUPAC name is 1-N-[(4-bromothiophen-2-yl)methyl]-4-methoxy-1-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(4-bromothiophen-2-yl)methyl]-4-methoxy-1-N-methylbutane-1,2-diamine
PubChem CID62475450
Molecular FormulaC11H19BrN2OS
Molecular Weight307.26 g/mol
Exact Mass306.04
IUPAC Name1-N-[(4-bromothiophen-2-yl)methyl]-4-methoxy-1-N-methylbutane-1,2-diamine
SMILESCOCCC(N)CN(C)Cc1cc(Br)cs1
InChIInChI=1S/C11H19BrN2OS/c1-14(6-10(13)3-4-15-2)7-11-5-9(12)8-16-11/h5,8,10H,3-4,6-7,13H2,1-2H3
InChIKeyDWLNAKVPGHFBAZ-UHFFFAOYSA-N
XLogP2.31
TPSA38.49 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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-N-[(4-bromothiophen-2-yl)methyl]-4-methoxy-1-N-methylbutane-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

4-methoxy-1-N-methyl-1-N-[(3-methylphenyl)methyl]butane-1,2-diamine
CID 55080874
4-methoxy-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbutane-1,2-diamine
CID 62475963
N-[(4-bromothiophen-2-yl)methyl]-4-methoxybutan-2-amine
CID 62732795
1-[(4-bromothiophen-2-yl)methyl-methylamino]-3-butoxypropan-2-ol
CID 107263807
1-(4-bromophenyl)-N'-[(4-bromothiophen-2-yl)methyl]-N'-methylpropane-1,3-diamine
CID 62618426
1-[(4-bromothiophen-2-yl)methyl-methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 110892578
3-[(4-bromothiophen-2-yl)methyl-methylamino]-2-methylpropanehydrazide
CID 63584163
N'-[(4-bromothiophen-2-yl)methyl]-2-ethyl-N'-methylbutane-1,4-diamine
CID 81079439
1-N-[(3-bromophenyl)methyl]-3-methoxy-1-N-methylpropane-1,2-diamine
CID 81102377
2-N-[(4-bromothiophen-2-yl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
CID 103226030
3-[(4-bromothiophen-2-yl)methyl-methylamino]-2-phenylpropanimidamide
CID 64538106
1-[(4-bromothiophen-2-yl)methyl-methylamino]-3-(tert-butylamino)propan-2-ol
CID 115475103

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-bromothiophen-2-yl)methyl]-4-methoxy-1-N-methylbutane-1,2-diamine?
The IUPAC name of 1-N-[(4-bromothiophen-2-yl)methyl]-4-methoxy-1-N-methylbutane-1,2-diamine (CID 62475450) is 1-N-[(4-bromothiophen-2-yl)methyl]-4-methoxy-1-N-methylbutane-1,2-diamine.
What is the SMILES notation for 1-N-[(4-bromothiophen-2-yl)methyl]-4-methoxy-1-N-methylbutane-1,2-diamine?
The canonical SMILES for 1-N-[(4-bromothiophen-2-yl)methyl]-4-methoxy-1-N-methylbutane-1,2-diamine is COCCC(N)CN(C)Cc1cc(Br)cs1.
What is the InChIKey of 1-N-[(4-bromothiophen-2-yl)methyl]-4-methoxy-1-N-methylbutane-1,2-diamine?
The InChIKey is DWLNAKVPGHFBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2OS/c1-14(6-10(13)3-4-15-2)7-11-5-9(12)8-16-11/h5,8,10H,3-4,6-7,13H2,1-2H3.
What are the key properties of 1-N-[(4-bromothiophen-2-yl)methyl]-4-methoxy-1-N-methylbutane-1,2-diamine?
1-N-[(4-bromothiophen-2-yl)methyl]-4-methoxy-1-N-methylbutane-1,2-diamine has a molecular weight of 307.26 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-bromothiophen-2-yl)methyl]-4-methoxy-1-N-methylbutane-1,2-diamine is sourced from PubChem (CID 62475450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).