(3-bromophenyl)-(5-ethylthiophen-2-yl)methanamine

C13H14BrNS — CID 43198306

IUPAC(3-bromophenyl)-(5-ethylthiophen-2-yl)methanamine
SMILESCCc1ccc(C(N)c2cccc(Br)c2)s1
InChIInChI=1S/C13H14BrNS/c1-2-11-6-7-12(16-11)13(15)9-4-3-5-10(14)8-9/h3-8,13H,2,15H2,1H3
InChIKeyDARVHZBRBVQYLM-UHFFFAOYSA-N
MW296.23 g/mol
LogP4.12
Rot. Bonds3

About (3-bromophenyl)-(5-ethylthiophen-2-yl)methanamine

(3-bromophenyl)-(5-ethylthiophen-2-yl)methanamine (PubChem CID 43198306) has the molecular formula C13H14BrNS and a molecular weight of 296.23 g/mol. Its IUPAC name is (3-bromophenyl)-(5-ethylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(3-bromophenyl)-(5-ethylthiophen-2-yl)methanamine
PubChem CID43198306
Molecular FormulaC13H14BrNS
Molecular Weight296.23 g/mol
Exact Mass295.00
IUPAC Name(3-bromophenyl)-(5-ethylthiophen-2-yl)methanamine
SMILESCCc1ccc(C(N)c2cccc(Br)c2)s1
InChIInChI=1S/C13H14BrNS/c1-2-11-6-7-12(16-11)13(15)9-4-3-5-10(14)8-9/h3-8,13H,2,15H2,1H3
InChIKeyDARVHZBRBVQYLM-UHFFFAOYSA-N
XLogP4.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromophenyl)-chloromethyl]-5-ethylthiophene
CID 63431228
(5-bromo-3-pyridinyl)-(5-ethylthiophen-2-yl)methanamine
CID 43125136
(1R)-1-(3-bromophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine
CID 81382264
3-amino-2-(3-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol
CID 65187866
(4-bromo-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanamine
CID 43198307
1-(3-bromophenyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 62606304
(3-chloro-4-methylphenyl)-(5-ethylthiophen-2-yl)methanamine
CID 55162371
(3,4-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methanamine
CID 43198261
(5-ethylthiophen-2-yl)-(4-iodophenyl)methanamine
CID 43124893
(3-bromophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 63977430
N-[2-(3-bromophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine
CID 79430577
(5-bromothiophen-2-yl)-(3-methylphenyl)methanamine
CID 61102439

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(5-ethylthiophen-2-yl)methanamine?
The IUPAC name of (3-bromophenyl)-(5-ethylthiophen-2-yl)methanamine (CID 43198306) is (3-bromophenyl)-(5-ethylthiophen-2-yl)methanamine.
What is the SMILES notation for (3-bromophenyl)-(5-ethylthiophen-2-yl)methanamine?
The canonical SMILES for (3-bromophenyl)-(5-ethylthiophen-2-yl)methanamine is CCc1ccc(C(N)c2cccc(Br)c2)s1.
What is the InChIKey of (3-bromophenyl)-(5-ethylthiophen-2-yl)methanamine?
The InChIKey is DARVHZBRBVQYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNS/c1-2-11-6-7-12(16-11)13(15)9-4-3-5-10(14)8-9/h3-8,13H,2,15H2,1H3.
What are the key properties of (3-bromophenyl)-(5-ethylthiophen-2-yl)methanamine?
(3-bromophenyl)-(5-ethylthiophen-2-yl)methanamine has a molecular weight of 296.23 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(5-ethylthiophen-2-yl)methanamine is sourced from PubChem (CID 43198306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).