1-(3-bromophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine

C14H16BrNS — CID 43426705

IUPAC1-(3-bromophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccsc1CNC(C)c1cccc(Br)c1
InChIInChI=1S/C14H16BrNS/c1-10-6-7-17-14(10)9-16-11(2)12-4-3-5-13(15)8-12/h3-8,11,16H,9H2,1-2H3
InChIKeyUAYLTINXROGLTJ-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.67
Rot. Bonds4

About 1-(3-bromophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine

1-(3-bromophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 43426705) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
PubChem CID43426705
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC Name1-(3-bromophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccsc1CNC(C)c1cccc(Br)c1
InChIInChI=1S/C14H16BrNS/c1-10-6-7-17-14(10)9-16-11(2)12-4-3-5-13(15)8-12/h3-8,11,16H,9H2,1-2H3
InChIKeyUAYLTINXROGLTJ-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-bromophenyl)-N-[(3-bromothiophen-2-yl)methyl]ethanamine
CID 81382475
(1S)-1-(3-bromophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81380969
(1R)-1-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 81350040
1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 78971653
(1R)-1-(3-bromophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 81371674
1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 43180807
1-(3-bromophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 113247038
1-(3-bromophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 43433745
(1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(3-bromophenyl)ethanamine
CID 102836741
(1S)-1-(3-bromophenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 81382162
4-[[[(1R)-1-(3-bromophenyl)ethyl]amino]methyl]phenol
CID 81381238
N-[(3-methylthiophen-2-yl)methyl]-1-(4-nitrophenyl)ethanamine
CID 79822198

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 1-(3-bromophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine (CID 43426705) is 1-(3-bromophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine is Cc1ccsc1CNC(C)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is UAYLTINXROGLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-10-6-7-17-14(10)9-16-11(2)12-4-3-5-13(15)8-12/h3-8,11,16H,9H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
1-(3-bromophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 310.26 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 43426705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).