N-benzyl-N-[(5-bromothiophen-2-yl)methyl]ethanamine

C14H16BrNS — CID 54940208

IUPACN-benzyl-N-[(5-bromothiophen-2-yl)methyl]ethanamine
SMILESCCN(Cc1ccccc1)Cc1ccc(Br)s1
InChIInChI=1S/C14H16BrNS/c1-2-16(10-12-6-4-3-5-7-12)11-13-8-9-14(15)17-13/h3-9H,2,10-11H2,1H3
InChIKeyZTRLDYLCDKMYCZ-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.53
Rot. Bonds5

About N-benzyl-N-[(5-bromothiophen-2-yl)methyl]ethanamine

N-benzyl-N-[(5-bromothiophen-2-yl)methyl]ethanamine (PubChem CID 54940208) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is N-benzyl-N-[(5-bromothiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-benzyl-N-[(5-bromothiophen-2-yl)methyl]ethanamine
PubChem CID54940208
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC NameN-benzyl-N-[(5-bromothiophen-2-yl)methyl]ethanamine
SMILESCCN(Cc1ccccc1)Cc1ccc(Br)s1
InChIInChI=1S/C14H16BrNS/c1-2-16(10-12-6-4-3-5-7-12)11-13-8-9-14(15)17-13/h3-9H,2,10-11H2,1H3
InChIKeyZTRLDYLCDKMYCZ-UHFFFAOYSA-N
XLogP4.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-benzylethanamine
CID 107555749
N-benzyl-N-[(2-bromophenyl)methyl]ethanamine
CID 55027071
N-benzyl-N-ethylethanamine;ethene
CID 174895763
N-benzyl-N-ethylethanamine;methanethiol
CID 142975470
N-[(5-bromothiophen-2-yl)methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide
CID 86691014
(2R)-1-[(5-bromothiophen-2-yl)methyl-ethylamino]-3-ethoxypropan-2-ol
CID 97213560
1-[(5-bromothiophen-2-yl)methyl-ethylamino]-3-ethoxypropan-2-ol
CID 75420764
N-benzyl-N-[(4-tert-butylphenyl)methyl]ethanamine
CID 58802076
2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-phenylacetamide
CID 60937692
2-[[benzyl(ethyl)amino]methyl]-3-bromoaniline
CID 43168955
3-[[benzyl(methyl)carbamoyl]amino]-N-[(5-bromothiophen-2-yl)methyl]-N-methylpropanamide
CID 56516070
N-benzyl-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
CID 80613982

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(5-bromothiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-benzyl-N-[(5-bromothiophen-2-yl)methyl]ethanamine (CID 54940208) is N-benzyl-N-[(5-bromothiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-benzyl-N-[(5-bromothiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-benzyl-N-[(5-bromothiophen-2-yl)methyl]ethanamine is CCN(Cc1ccccc1)Cc1ccc(Br)s1.
What is the InChIKey of N-benzyl-N-[(5-bromothiophen-2-yl)methyl]ethanamine?
The InChIKey is ZTRLDYLCDKMYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-2-16(10-12-6-4-3-5-7-12)11-13-8-9-14(15)17-13/h3-9H,2,10-11H2,1H3.
What are the key properties of N-benzyl-N-[(5-bromothiophen-2-yl)methyl]ethanamine?
N-benzyl-N-[(5-bromothiophen-2-yl)methyl]ethanamine has a molecular weight of 310.26 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(5-bromothiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 54940208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).