N-[(4-bromothiophen-2-yl)methyl]-5-[(2-methoxyethylamino)methyl]-N-methylpyridin-2-amine

C15H20BrN3OS — CID 80632198

IUPACN-[(4-bromothiophen-2-yl)methyl]-5-[(2-methoxyethylamino)methyl]-N-methylpyridin-2-amine
SMILESCOCCNCc1ccc(N(C)Cc2cc(Br)cs2)nc1
InChIInChI=1S/C15H20BrN3OS/c1-19(10-14-7-13(16)11-21-14)15-4-3-12(9-18-15)8-17-5-6-20-2/h3-4,7,9,11,17H,5-6,8,10H2,1-2H3
InChIKeyWWKTZDGKTUCBGP-UHFFFAOYSA-N
MW370.32 g/mol
LogP3.28
Rot. Bonds8

About N-[(4-bromothiophen-2-yl)methyl]-5-[(2-methoxyethylamino)methyl]-N-methylpyridin-2-amine

N-[(4-bromothiophen-2-yl)methyl]-5-[(2-methoxyethylamino)methyl]-N-methylpyridin-2-amine (PubChem CID 80632198) has the molecular formula C15H20BrN3OS and a molecular weight of 370.32 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-5-[(2-methoxyethylamino)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-5-[(2-methoxyethylamino)methyl]-N-methylpyridin-2-amine
PubChem CID80632198
Molecular FormulaC15H20BrN3OS
Molecular Weight370.32 g/mol
Exact Mass369.05
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-5-[(2-methoxyethylamino)methyl]-N-methylpyridin-2-amine
SMILESCOCCNCc1ccc(N(C)Cc2cc(Br)cs2)nc1
InChIInChI=1S/C15H20BrN3OS/c1-19(10-14-7-13(16)11-21-14)15-4-3-12(9-18-15)8-17-5-6-20-2/h3-4,7,9,11,17H,5-6,8,10H2,1-2H3
InChIKeyWWKTZDGKTUCBGP-UHFFFAOYSA-N
XLogP3.28
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine
CID 80631270
N'-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 80636019
N,N-diethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine
CID 80628259
N-[[3-bromo-4-[(4-bromothiophen-2-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 63062514
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62288831
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 80638766
N-[[6-[(5-bromo-2-pyridinyl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80650841
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-(propylaminomethyl)aniline
CID 63551376
5-[(2-methoxyethylamino)methyl]-N-methyl-N-pentan-2-ylpyridin-2-amine
CID 80629841
2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-methylamino]cyclohexan-1-ol
CID 102633012
N-[(4-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-4-(propylaminomethyl)pyridin-2-amine
CID 114925898
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine
CID 80632155

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-5-[(2-methoxyethylamino)methyl]-N-methylpyridin-2-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-5-[(2-methoxyethylamino)methyl]-N-methylpyridin-2-amine (CID 80632198) is N-[(4-bromothiophen-2-yl)methyl]-5-[(2-methoxyethylamino)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-5-[(2-methoxyethylamino)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-5-[(2-methoxyethylamino)methyl]-N-methylpyridin-2-amine is COCCNCc1ccc(N(C)Cc2cc(Br)cs2)nc1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-5-[(2-methoxyethylamino)methyl]-N-methylpyridin-2-amine?
The InChIKey is WWKTZDGKTUCBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3OS/c1-19(10-14-7-13(16)11-21-14)15-4-3-12(9-18-15)8-17-5-6-20-2/h3-4,7,9,11,17H,5-6,8,10H2,1-2H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-5-[(2-methoxyethylamino)methyl]-N-methylpyridin-2-amine?
N-[(4-bromothiophen-2-yl)methyl]-5-[(2-methoxyethylamino)methyl]-N-methylpyridin-2-amine has a molecular weight of 370.32 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-5-[(2-methoxyethylamino)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 80632198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).