N-[(3-bromothiophen-2-yl)methyl]-N-methylpropan-1-amine

C9H14BrNS — CID 48542145

IUPACN-[(3-bromothiophen-2-yl)methyl]-N-methylpropan-1-amine
SMILESCCCN(C)Cc1sccc1Br
InChIInChI=1S/C9H14BrNS/c1-3-5-11(2)7-9-8(10)4-6-12-9/h4,6H,3,5,7H2,1-2H3
InChIKeyDSGAIFHJYNHQNZ-UHFFFAOYSA-N
MW248.19 g/mol
LogP3.35
Rot. Bonds4

About N-[(3-bromothiophen-2-yl)methyl]-N-methylpropan-1-amine

N-[(3-bromothiophen-2-yl)methyl]-N-methylpropan-1-amine (PubChem CID 48542145) has the molecular formula C9H14BrNS and a molecular weight of 248.19 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-N-methylpropan-1-amine
PubChem CID48542145
Molecular FormulaC9H14BrNS
Molecular Weight248.19 g/mol
Exact Mass247.00
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-N-methylpropan-1-amine
SMILESCCCN(C)Cc1sccc1Br
InChIInChI=1S/C9H14BrNS/c1-3-5-11(2)7-9-8(10)4-6-12-9/h4,6H,3,5,7H2,1-2H3
InChIKeyDSGAIFHJYNHQNZ-UHFFFAOYSA-N
XLogP3.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 63207619
N-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 63864670
N-[(3-bromothiophen-2-yl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 55211598
N-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 63823450
2-[(3-bromothiophen-2-yl)methyl-methylamino]-N'-hydroxyethanimidamide
CID 76929374
2-N-[(3-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine
CID 119924744
N-[(3-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine
CID 63456654
N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60776921
3-bromo-N,N-dipropylthiophene-2-carboxamide
CID 55028228
3-[[(3-bromothiophen-2-yl)methyl-methylamino]methyl]-5-methyl-1,2-oxazole-4-carboxylic acid
CID 138004030
N-[(3-bromothiophen-2-yl)methyl]-N-ethyl-4-fluoroaniline
CID 63456509
N-[(4-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60777785

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-N-methylpropan-1-amine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-N-methylpropan-1-amine (CID 48542145) is N-[(3-bromothiophen-2-yl)methyl]-N-methylpropan-1-amine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-N-methylpropan-1-amine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-N-methylpropan-1-amine is CCCN(C)Cc1sccc1Br.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-N-methylpropan-1-amine?
The InChIKey is DSGAIFHJYNHQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNS/c1-3-5-11(2)7-9-8(10)4-6-12-9/h4,6H,3,5,7H2,1-2H3.
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-N-methylpropan-1-amine?
N-[(3-bromothiophen-2-yl)methyl]-N-methylpropan-1-amine has a molecular weight of 248.19 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 48542145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).