N-[(4,5-dibromothiophen-2-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine

C14H16Br2N2OS — CID 102834972

IUPACN-[(4,5-dibromothiophen-2-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
SMILESCC(C)Oc1ncccc1CNCc1cc(Br)c(Br)s1
InChIInChI=1S/C14H16Br2N2OS/c1-9(2)19-14-10(4-3-5-18-14)7-17-8-11-6-12(15)13(16)20-11/h3-6,9,17H,7-8H2,1-2H3
InChIKeyJLANPCFXRWDDEE-UHFFFAOYSA-N
MW420.17 g/mol
LogP4.75
Rot. Bonds6

About N-[(4,5-dibromothiophen-2-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine

N-[(4,5-dibromothiophen-2-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine (PubChem CID 102834972) has the molecular formula C14H16Br2N2OS and a molecular weight of 420.17 g/mol. Its IUPAC name is N-[(4,5-dibromothiophen-2-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(4,5-dibromothiophen-2-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
PubChem CID102834972
Molecular FormulaC14H16Br2N2OS
Molecular Weight420.17 g/mol
Exact Mass417.94
IUPAC NameN-[(4,5-dibromothiophen-2-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
SMILESCC(C)Oc1ncccc1CNCc1cc(Br)c(Br)s1
InChIInChI=1S/C14H16Br2N2OS/c1-9(2)19-14-10(4-3-5-18-14)7-17-8-11-6-12(15)13(16)20-11/h3-6,9,17H,7-8H2,1-2H3
InChIKeyJLANPCFXRWDDEE-UHFFFAOYSA-N
XLogP4.75
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.17
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4,5-dibromothiophen-2-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine 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

N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 61373669
1-(2-bromophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
CID 102834984
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-yn-1-amine
CID 62142011
N-[(1-methyltriazol-4-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
CID 62756157
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
CID 107911473
N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
CID 62742368
methyl 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetate
CID 61375172
N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
CID 63984677
5-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine
CID 63208632
3-chloro-2-[[(2-propan-2-yloxy-3-pyridinyl)methylamino]methyl]phenol
CID 78959442
2-(3-methylbutoxy)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61483713

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromothiophen-2-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine?
The IUPAC name of N-[(4,5-dibromothiophen-2-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine (CID 102834972) is N-[(4,5-dibromothiophen-2-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine.
What is the SMILES notation for N-[(4,5-dibromothiophen-2-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine?
The canonical SMILES for N-[(4,5-dibromothiophen-2-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine is CC(C)Oc1ncccc1CNCc1cc(Br)c(Br)s1.
What is the InChIKey of N-[(4,5-dibromothiophen-2-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine?
The InChIKey is JLANPCFXRWDDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2N2OS/c1-9(2)19-14-10(4-3-5-18-14)7-17-8-11-6-12(15)13(16)20-11/h3-6,9,17H,7-8H2,1-2H3.
What are the key properties of N-[(4,5-dibromothiophen-2-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine?
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine has a molecular weight of 420.17 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromothiophen-2-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine is sourced from PubChem (CID 102834972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).