N-[(3-bromo-4-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine

C14H15Br2NS — CID 81472376

IUPACN-[(3-bromo-4-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(Br)c1)c1sccc1Br
InChIInChI=1S/C14H15Br2NS/c1-3-17-13(14-11(15)6-7-18-14)10-5-4-9(2)12(16)8-10/h4-8,13,17H,3H2,1-2H3
InChIKeyKSDWLTHEIFQQIC-UHFFFAOYSA-N
MW389.16 g/mol
LogP5.28
Rot. Bonds4

About N-[(3-bromo-4-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine

N-[(3-bromo-4-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine (PubChem CID 81472376) has the molecular formula C14H15Br2NS and a molecular weight of 389.16 g/mol. Its IUPAC name is N-[(3-bromo-4-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-4-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine
PubChem CID81472376
Molecular FormulaC14H15Br2NS
Molecular Weight389.16 g/mol
Exact Mass386.93
IUPAC NameN-[(3-bromo-4-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(Br)c1)c1sccc1Br
InChIInChI=1S/C14H15Br2NS/c1-3-17-13(14-11(15)6-7-18-14)10-5-4-9(2)12(16)8-10/h4-8,13,17H,3H2,1-2H3
InChIKeyKSDWLTHEIFQQIC-UHFFFAOYSA-N
XLogP5.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.16
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 79746478
N-[(3-bromothiophen-2-yl)-(4-iodophenyl)methyl]ethanamine
CID 80535832
N-[(3-bromothiophen-2-yl)-(4-ethoxyphenyl)methyl]ethanamine
CID 63798446
N-[(4-bromo-2-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine
CID 80535141
N-[(5-bromo-4-methylthiophen-2-yl)-(3-bromothiophen-2-yl)methyl]ethanamine
CID 79991980
N-[(3-bromo-4-methylphenyl)-phenylmethyl]ethanamine
CID 81471923
N-[(3-bromothiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
CID 81143315
N-[(3-bromothiophen-2-yl)-(4-fluoro-3,5-dimethylphenyl)methyl]propan-1-amine
CID 65297026
N-[(3-bromothiophen-2-yl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 80535905
N-[(3-bromo-5-methylphenyl)-(3-bromothiophen-2-yl)methyl]propan-1-amine
CID 104851374
N-[(3-bromothiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine
CID 63797565
N-[(3-bromo-5-methylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 104851277

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-bromo-4-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine (CID 81472376) is N-[(3-bromo-4-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-4-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromo-4-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine is CCNC(c1ccc(C)c(Br)c1)c1sccc1Br.
What is the InChIKey of N-[(3-bromo-4-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine?
The InChIKey is KSDWLTHEIFQQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NS/c1-3-17-13(14-11(15)6-7-18-14)10-5-4-9(2)12(16)8-10/h4-8,13,17H,3H2,1-2H3.
What are the key properties of N-[(3-bromo-4-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine?
N-[(3-bromo-4-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine has a molecular weight of 389.16 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 81472376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).